SCHEMBL30189683

SCHEMBL30189683

COc1cnc2c(-c3cc4cc(OCCNC(=O)OC(C)(C)C)cc(Cl)c4o3)cc(C)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 17/20 0.40
BCHE P06276 1/20 0.38
CNR2 P34972 1/20 0.38
CYP3A4 P08684 3/20 0.36

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
SCHEMBL31114049 1.00 F2RL3 (0.40) F2RL3BCHECNR2CYP3A4
SCHEMBL19783095 1.00 F2RL3 (0.40) F2RL3BCHECNR2CYP3A4
SCHEMBL30189764 0.83 F2RL3 (0.47) F2RL3CYP3A4
SCHEMBL19783340 0.83 F2RL3 (0.47) F2RL3CYP3A4
SCHEMBL19783330 0.83 F2RL3 (0.44) F2RL3CYP3A4
SCHEMBL30189965 0.82 F2RL3 (0.47) F2RL3
SCHEMBL19783236 0.82 F2RL3 (0.47) F2RL3
SCHEMBL19782493 0.81 F2RL3 (0.56) F2RL3CYP3A4
SCHEMBL31113955 0.81 F2RL3 (0.56) F2RL3CYP3A4
SCHEMBL19783093 0.79 F2RL3 (0.63) F2RL3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed