SCHEMBL7513261

SCHEMBL7513261

O=C(NCC(=O)N1CC[N]CC1)OCCCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.54
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
NAAA Q02083 3/20 0.46
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
ALDH1A1 P00352 1/20 0.43
FKBP1A P62942 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7515003 0.96 SIGMAR1 (0.55) SIGMAR1SMN1; SMN2NPC1RECQLRAB9A
SCHEMBL7508571 0.92 SIGMAR1 (0.52) SIGMAR1SMN1; SMN2NPC1RECQLRAB9A
SCHEMBL7509784 0.84 PREP (0.54) SIGMAR1SMN1; SMN2ALDH1A1PKMKMT2A
SCHEMBL7509584 0.81 HTR2A (0.50) SIGMAR1SMN1; SMN2ALDH1A1FKBP1AKMT2A
SCHEMBL7516751 0.80 HTR2A (0.49) SIGMAR1SMN1; SMN2NAAAALDH1A1FKBP1A
SCHEMBL7515241 0.80 HTR2A (0.49) SIGMAR1SMN1; SMN2NAAAALDH1A1FKBP1A
SCHEMBL5213750 0.78 NPC1 (0.59) SMN1; SMN2NPC1RECQLRAB9ANAAA
SCHEMBL7509167 0.77 SMN1; SMN2 (0.53) SIGMAR1SMN1; SMN2NPC1RECQLRAB9A
SCHEMBL5542274 0.77 ALDH1A1 (0.48) SIGMAR1SMN1; SMN2NPC1ALDH1A1FKBP1A
SCHEMBL5538867 0.76 ALDH1A1 (0.47) SIGMAR1SMN1; SMN2NPC1ALDH1A1FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823413-B1 Intermediates for the preparation of benzoheterocyclic compounds OTSUKA PHARMA CO LTD (JP) 2002-02-13 EP disclosed
EP-0823413-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP disclosed
US-5591744-A 1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLATE DERIVATIVES; MICROBIOCIDES OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-01-07 US disclosed
US-5563138-A 4-OXOQUINOLINE-3-CARBOXYLIC ACID COMPOUNDS HAVING ANTIMICROBIAL ACTIVITY OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1996-10-08 US disclosed
EP-0287951-B1 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents OTSUKA PHARMA CO LTD (JP) 1996-07-03 EP disclosed
US-5495020-A CHEMICAL INTERMEDIATE FOR BACTERICIDES, MICROBIOCIDES, DISINFECTANTS; SIDE EFFECT REDUCTION, ABSORPTION OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1996-02-27 US disclosed
US-5290934-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-03-01 US disclosed
EP-0565132-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-10-13 EP disclosed