SCHEMBL6823141

SCHEMBL6823141

CC1CC(=O)C=C2CCc3cc(Cl)ccc3N21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 15/20 1.00
NOTUM Q6P988 2/20 0.47
ROCK1 Q13464 1/20 0.43
HSD17B3 P37058 1/20 0.42

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
SCHEMBL6820043 0.80 SRD5A1 (0.67) SRD5A1NOTUMROCK1HSD17B3
SCHEMBL6820051 0.78 SRD5A1 (0.64) SRD5A1NOTUMROCK1
SCHEMBL6820138 0.78 SRD5A1 (0.64) SRD5A1NOTUMROCK1
SCHEMBL6942300 0.72 NOTUM (0.59) SRD5A1NOTUMHSD17B3
SCHEMBL6820075 0.71 SRD5A1 (1.00) SRD5A1NOTUMROCK1HSD17B3
SCHEMBL6822962 0.70 SRD5A1 (0.54) SRD5A1NOTUMROCK1
SCHEMBL11255201 0.65 SRD5A1 (0.59) SRD5A1NOTUMHSD17B3
SCHEMBL6819781 0.64 SRD5A1 (1.00) SRD5A1NOTUM
SCHEMBL6819849 0.64 SRD5A1 (1.00) SRD5A1
SCHEMBL4713862 0.63 NOTUM (0.62) SRD5A1NOTUM

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