SCHEMBL30187773

SCHEMBL30187773

COc1cnc2c(-c3cc4cc(OC)c(F)cc4o3)cc(CO)cc2n1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 16/20 0.49
ESR1 P03372 1/20 0.34
FFAR1 O14842 1/20 0.33
ALOX5 P09917 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
SCHEMBL19783370 1.00 F2RL3 (0.49) F2RL3ESR1FFAR1ALOX5
SCHEMBL22341939 0.92 F2RL3 (0.46) F2RL3
SCHEMBL22341870 0.91 F2RL3 (0.45) F2RL3
SCHEMBL23463111 0.87 F2RL3 (0.44) F2RL3
SCHEMBL19783458 0.85 F2RL3 (0.57) F2RL3
SCHEMBL30187671 0.85 F2RL3 (0.57) F2RL3
SCHEMBL21379503 0.85 F2RL3 (0.40) F2RL3ESR1
SCHEMBL30189670 0.85 F2RL3 (0.40) F2RL3ESR1
SCHEMBL19783168 0.82 F2RL3 (0.44) F2RL3
SCHEMBL30187778 0.82 F2RL3 (0.44) F2RL3

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 2 patents. 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 claimed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed