SCHEMBL6822926

SCHEMBL6822926

CC1=C2CC(C)c3ccccc3N2C(C)CC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.43
OPRK1 P41145 3/20 0.43
OPRL1 P41146 3/20 0.43
SRD5A1 P18405 3/20 0.42
NOTUM Q6P988 2/20 0.38
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
TSHR P16473 1/20 0.32
AADAT Q8N5Z0 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
EEF2K O00418 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
SCHEMBL6819871 0.77 SRD5A1 (0.55) OPRM1OPRK1OPRL1SRD5A1NOTUM
SCHEMBL6820061 0.75 SRD5A1 (0.71) OPRM1OPRK1OPRL1SRD5A1
SCHEMBL6819941 0.72 SRD5A1 (0.46) OPRM1OPRK1OPRL1SRD5A1NOTUM
SCHEMBL6815716 0.71 ALDH1A1 (0.41) SRD5A1NOTUMALDH1A1LMNA
SCHEMBL6746146 0.66 OPRM1 (0.50) OPRM1OPRK1OPRL1NOTUMNOS3
SCHEMBL31469975 0.66 OPRM1 (0.50) OPRM1OPRK1OPRL1NOTUMNOS3
SCHEMBL28230741 0.65 OPRM1 (0.49) OPRM1OPRK1OPRL1NOTUMNOS3
SCHEMBL6815740 0.63 AADAT (0.38) OPRM1OPRK1OPRL1SRD5A1NOTUM
SCHEMBL181579 0.61 ACHE (0.48) NOTUMNOS3NOS1NOS2ALDH1A1
SCHEMBL9372008 0.61 ACHE (0.48) NOTUMNOS3NOS1NOS2ALDH1A1

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