SCHEMBL6820083

SCHEMBL6820083

CC1CC2=CC(=O)CCN2c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 10/20 0.69
MAPT P10636 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRK1 P41145 2/20 0.40
OPRL1 P41146 2/20 0.40
NOTUM Q6P988 1/20 0.38
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
ROCK1 Q13464 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
MGLL Q99685 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL6820079 0.82 SRD5A1 (1.00) SRD5A1
SCHEMBL6819849 0.81 SRD5A1 (1.00) SRD5A1MAPT
SCHEMBL6819941 0.75 SRD5A1 (0.46) SRD5A1MAPTOPRM1OPRK1OPRL1
SCHEMBL6815448 0.75 SRD5A1 (0.45) SRD5A1MAPTOPRM1OPRK1OPRL1
SCHEMBL6820061 0.72 SRD5A1 (0.71) SRD5A1OPRM1OPRK1OPRL1
SCHEMBL6820470 0.71 SRD5A1 (0.67) SRD5A1NOTUM
SCHEMBL6820047 0.70 SRD5A1 (1.00) SRD5A1MAPTROCK1LMNA
SCHEMBL24893223 0.68 ROCK1 (0.39) SRD5A1MAPTOPRM1OPRK1OPRL1
SCHEMBL31469975 0.66 OPRM1 (0.50) OPRM1OPRK1OPRL1NOTUMNOS3
SCHEMBL6746146 0.66 OPRM1 (0.50) OPRM1OPRK1OPRL1NOTUMNOS3

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