SCHEMBL6819941

SCHEMBL6819941

CC1CC2=CC(=O)CC(C)N2c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 4/20 0.46
OPRM1 P35372 5/20 0.44
OPRK1 P41145 5/20 0.44
OPRL1 P41146 5/20 0.44
NOTUM Q6P988 2/20 0.39
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
GAA P10253 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
SCHEMBL6820138 0.80 SRD5A1 (0.64) SRD5A1NOTUMMAPT
SCHEMBL6820043 0.76 SRD5A1 (0.67) SRD5A1OPRM1OPRK1OPRL1NOTUM
SCHEMBL6815740 0.76 AADAT (0.38) SRD5A1OPRM1OPRK1OPRL1NOTUM
SCHEMBL6820083 0.75 SRD5A1 (0.69) SRD5A1OPRM1OPRK1OPRL1NOTUM
SCHEMBL6822926 0.72 OPRM1 (0.43) SRD5A1OPRM1OPRK1OPRL1NOTUM
SCHEMBL6823140 0.70 NOTUM (0.45) SRD5A1NOTUMLMNAMAPT
SCHEMBL31469975 0.67 OPRM1 (0.50) OPRM1OPRK1OPRL1NOTUMNOS3
SCHEMBL6746146 0.67 OPRM1 (0.50) OPRM1OPRK1OPRL1NOTUMNOS3
SCHEMBL6823141 0.63 SRD5A1 (1.00) SRD5A1NOTUM
SCHEMBL20335486 0.61 ALDH1A1 (0.48) OPRM1OPRK1OPRL1NOTUMTSHR

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