SCHEMBL6815740

SCHEMBL6815740

CC1C2=CC(=O)CC(C)N2c2ccccc2C1C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 1/20 0.38
OPRM1 P35372 6/20 0.37
OPRK1 P41145 6/20 0.37
OPRL1 P41146 6/20 0.37
SRD5A1 P18405 1/20 0.37
NOTUM Q6P988 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 2/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL6822962 0.80 SRD5A1 (0.54) SRD5A1NOTUM
SCHEMBL6819941 0.76 SRD5A1 (0.46) OPRM1OPRK1OPRL1SRD5A1NOTUM
SCHEMBL6823140 0.76 NOTUM (0.45) SRD5A1NOTUMLMNAALDH1A1
SCHEMBL6815448 0.73 SRD5A1 (0.45) AADATOPRM1OPRK1OPRL1SRD5A1
SCHEMBL6820043 0.67 SRD5A1 (0.67) OPRM1OPRK1OPRL1SRD5A1NOTUM
SCHEMBL6820051 0.63 SRD5A1 (0.64) AADATSRD5A1NOTUM
SCHEMBL6822926 0.63 OPRM1 (0.43) AADATOPRM1OPRK1OPRL1SRD5A1
SCHEMBL2470207 0.63 AADAT (0.50) AADATHDAC4HDAC7HDAC5LMNA
SCHEMBL7382405 0.61 HTR2A (0.40) AADATOPRM1OPRK1OPRL1SRD5A1
SCHEMBL14075307 0.61 BRD4 (0.44) AADATOPRM1OPRK1OPRL1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102765-B1 PROCESS FOR THE SYNTHESIS OF (1$i(H))-BENZO C]QUINOLIZIN-3-ONES DERIVATIVES APPLIED RESEARCH SYSTEMS (AN) 2003-09-17 EP claimed
US-6723850-B1 N-ALKYLATION OF THE THIOAMIDE WITH A VINYL KETONE IN PRESENCE OF A STRONG BASE; 6-CHLORO-(1H)-3,4-DIHYDROQUINOLIN-2-THIONE REACTED WITH ETHYL VINYL KETONE APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-04-20 US disclosed
EP-1102765-B1 PROCESS FOR THE SYNTHESIS OF (1$i(H))-BENZO C]QUINOLIZIN-3-ONES DERIVATIVES APPLIED RESEARCH SYSTEMS (AN) 2003-09-17 EP disclosed