SCHEMBL5004246

SCHEMBL5004246

CCCC(=O)N1C(=O)C2C=CC1C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRNB3 Q05901 1/20 0.37
CHRNA6 Q15825 1/20 0.37
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
ELANE P08246 1/20 0.32
CES1 P23141 1/20 0.32
POLB P06746 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4989211 0.87 CHRNB2 (0.33) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL21389415 0.69 SMN1; SMN2 (0.31) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL5692758 0.65 USP2 (0.33) TSHRALDH1A1SMN1; SMN2
SCHEMBL24796253 0.63 PKM (0.35) ALDH1A1PKM
SCHEMBL18485452 0.61 LMNA (0.42) TSHRCES1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL21389274 0.61 MEN1 (0.31) ALDH1A1MEN1KMT2A
SCHEMBL28150992 0.60 ALDH1A1 (0.39) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL13823190 0.60 NAAA (0.57) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL4299187 0.59 CHRNB2 (0.38) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL4297881 0.59 CHRNB2 (0.38) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7405065-B2 Such as 1S,4R)-1-amino-4-(hydroxymethyl)-2-cyclopentene via N-acetylamino-alcohol hydrolase isolated from Rhodococcus, Gordona, Arthrobacter, Alcaligenes, Agrobacterium/Rhizobium, Bacillus, Pseudomonas or Alcaligenes/Bordetella LONZA AG (CH) 2008-07-29 US disclosed
EP-1502914-A1 Process for the preparation of 1-amino-4-(hydroxymethyl)-2-cyclopentene derivatives Lonza AG (CH) 2005-02-02 EP disclosed
US-20040265985-A1 Such as 1S,4R)-1-amino-4-(hydroxymethyl)-2-cyclopentene via N-acetylamino-alcohol hydrolase isolated from Rhodococcus, Gordona, Arthrobacter, Alcaligenes, Agrobacterium/Rhizobium, Bacillus, Pseudomonas or Alcaligenes/Bordetella BERNEGGER-EGLI CHRISTINE (CH) 2004-12-30 US disclosed
EP-0904348-B1 PROCESS FOR THE PREPARATION OF AMINO ALCOHOLS AND DERIVATIVES THEREOF LONZA AG (CH) 2004-11-24 EP disclosed
US-6787347-B2 MICROORGANISMS FOR USE IN THE GENERATION OF PREFERENTIAL CYCLOPENTENE LONZA AG (CH) 2004-09-07 US disclosed
EP-0878548-B1 Multistep process for the preparation of (1S,4R)- and/or (1R,4S)-4-(2-Amino-6-Chlor-9-H-purin-9-yl)-2-cyclopentene-1-methanol LONZA AG (CH) 2004-09-01 EP disclosed
US-20030008360-A1 Microorganisms for use in the generation of preferential cyclopentene BERNEGGER-EGLI CHRISTINE (CH) 2003-01-09 US disclosed
US-6368850-B1 PREPARING 1-AMINO-4-(HYDROXYMETHYL)-2-CYCLOPENTENE AND N-ACETYLAMINO-ALCOHOL HYDROLASE ACTIVITY OBTAINABLE FROM THESE MICROORGANISMS. LONZA AG (CH) 2002-04-09 US disclosed
US-6262295-B1 REACTING CYCLOPENTENE-4-CARBOXYLIC ACID WITH AN ACYL HALIDE LONZA A.G. (CH) 2001-07-17 US disclosed
US-6252112-B1 MIBCROBIAL HYDROLYSIS OF THE TITLE COMPOUND DERIVATIVE USING ENZYME HAVING N-ACETYLAMINO-ALCOHOL HYDROLASE OR PENICILLIN G ACYLASE ACTIVITY WITH SUBSEQUENT ACYLATION LONZA A.G., (CH) 2001-06-26 US disclosed
US-6156893-A Process for the preparation of (1S,4R)- or (1R,4S)- 4-(2-amino-6-chloro-9H-purin-9-yl)-2-cyclopentene-1-methanol LONZA A.G. (CH) 2000-12-05 US disclosed
US-6137007-A CHEMICAL INTERMEDIATES FOR NUCLEOSIDE, 4-2-(AMINO-6-CHLORO-9H-PURIN-9-YL)-2-CYCLOPENTENE-1-METHANOL, WHICH IS AN INTERMEDIATE FOR 6-(CYCLOPROPYLAMINO)-DERIVATIVE LONZA AG (CH) 2000-10-24 US disclosed
EP-0904348-A1 PROCESS FOR THE PREPARATION OF AMINO ALCOHOLS AND DERIVATIVES THEREOF LONZA AG (CH) 1999-03-31 EP disclosed
EP-0878548-A2 Multistep process for the preparation of (1S,4R)- and/or (1R,4S)-4-(2-Amino-6-Chlor-9-H-purin-9-yl)-2-cyclopentene-1-methanol LONZA AG (CH) 1998-11-18 EP disclosed
WO-1997045529-A1 PROCESS FOR THE PREPARATION OF AMINO ALCOHOLS AND DERIVATIVES THEREOF LONZA AG (CH) 1997-12-04 WO disclosed