SCHEMBL6853571

SCHEMBL6853571

c1ccc(CC2CCCCN3CCCN=C23)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.43
SIGMAR1 Q99720 1/20 0.38
SLC18A3 Q16572 1/20 0.38
POLB P06746 1/20 0.36
CCR3 P51677 1/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36

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
SCHEMBL6862009 0.95 HSD11B1 (0.40) HSD11B1SLC18A3CCR3TSHRMEN1
SCHEMBL6860623 0.93 HSD11B1 (0.43) HSD11B1SLC18A3POLBCCR3TSHR
SCHEMBL21365310 0.82 NOS1 (0.35)
SCHEMBL810036 0.72 NOS1 (0.35) TSHRMEN1KMT2A
SCHEMBL8174246 0.72 MEN1 (0.39) HSD11B1SIGMAR1POLBTSHRMEN1
SCHEMBL809744 0.71 CTSL (0.40) SIGMAR1
SCHEMBL14697113 0.70 HSD11B1 (0.41) HSD11B1POLBTSHRADRA2AADRA2B
SCHEMBL14697112 0.70 HSD11B1 (0.41) HSD11B1POLBTSHRADRA2AADRA2B
SCHEMBL809570 0.69 NOS1 (0.36)
SCHEMBL17215357 0.68 CHRNB2 (0.40)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6794530-B1 1,4-ADDITION OF MONOHYDRIC OR POLYHYDRIC ALCOHOLS TO ALPHA , BETA -UNSATURATED NITRILES BASF AKTIENGESELLSCHAFT (DE) 2004-09-21 US disclosed
EP-0934925-B1 Process for the preparation of beta-alkoxy nitriles BASF AG (DE) 2002-09-25 EP disclosed
EP-0999206-B1 Process for producing alpha cyano acetic acid esters BASF AG (DE) 2002-09-18 EP disclosed
US-6130347-A REACTING MONOCHLOROACETIC ESTER WITH HYDROGEN CYANIDE IN BASE PRESENCE; CYANATION BASF AKTIENGESELLSCHAFT (DE) 2000-10-10 US disclosed
EP-0999206-A1 Process for producing alpha cyano acetic acid esters BASF AKTIENGESELLSCHAFT (DE) 2000-05-10 EP disclosed
EP-0934925-A1 Process for the preparation of beta-alkoxy nitriles BASF AKTIENGESELLSCHAFT (DE) 1999-08-11 EP disclosed