SCHEMBL6435838

SCHEMBL6435838

O=C1C=C2CCC3CCCCC3N2CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 4/20 0.48
SRD5A2 P31213 3/20 0.48
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
TLR4 O00206 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM2 Q14416 1/20 0.32

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
SCHEMBL6431485 0.78 SRD5A1 (0.43) SRD5A1SRD5A2ALDH1A1MAPT
SCHEMBL6431780 0.78 SRD5A1 (0.46) SRD5A1SRD5A2ALDH1A1MAPTTLR4
SCHEMBL6431921 0.74 ALDH1A1 (0.37) SRD5A1SRD5A2ALDH1A1KMT2A
SCHEMBL6435095 0.74 SRD5A1 (0.48) SRD5A1SRD5A2ALDH1A1MAPTKMT2A
SCHEMBL6432264 0.71 SRD5A1 (0.35) SRD5A1SRD5A2MAPTKMT2APOLB
SCHEMBL8537032 0.67 SRD5A1 (0.39) SRD5A1SRD5A2ALDH1A1MAPT
SCHEMBL6436279 0.67 ALDH1A1 (0.33) SRD5A1ALDH1A1MAPTKMT2A
SCHEMBL16480419 0.64 MAPT (0.52) SRD5A1SRD5A2ALDH1A1MAPTKMT2A
SCHEMBL6432473 0.64 SRD5A1 (0.39) SRD5A1SRD5A2
SCHEMBL7017325 0.61 MAPT (0.72) SRD5A1SRD5A2ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066284-B1 BENZO(C)QUINOLIZINE DERIVATIVES AND THEIR USE AS 5 ALPHA-REDUCTASES INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2005-08-31 EP claimed
EP-1066284-A1 BENZO C]QUINOLIZINE DERIVATIVES AND THEIR USE AS 5 ALPHA-REDUCTASES INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2001-01-10 EP claimed
WO-1999033828-A1 BENZO[C]QUINOLIZINE DERIVATIVES AND THEIR USE AS 5 ALPHA-REDUCTASES INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 1999-07-08 WO claimed
EP-0926148-A1 Benzo (C)quinolizine derivatives, their preparation and use as 5-alphareductases inhibitors APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 1999-06-30 EP claimed
US-6962925-B1 Benzo(C)quinolizine derivatives and their use as 5α-reductases inhibitors APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-11-08 US disclosed
EP-1066284-B1 BENZO(C)QUINOLIZINE DERIVATIVES AND THEIR USE AS 5 ALPHA-REDUCTASES INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2005-08-31 EP disclosed
EP-0926148-A1 Benzo (C)quinolizine derivatives, their preparation and use as 5-alphareductases inhibitors APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 1999-06-30 EP disclosed