SCHEMBL30843294

SCHEMBL30843294

COC(=O)C1(C)CC2(CC(NC(=O)c3ccc(F)c4ccn(Cc5ccc(-c6ccccc6)cc5)c34)C2)C1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 9/20 0.39
▸ CNR1 P21554 8/20 0.39
▸ TOP1 P11387 6/20 0.37
▸ CHRM1 P11229 2/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL21458257 1.00 CNR2 (0.39) CNR2CNR1TOP1CHRM1MCHR1
SCHEMBL21458175 0.93 CNR2 (0.40) CNR2CNR1TOP1CHRM1MCHR1
SCHEMBL31731358 0.93 CNR2 (0.40) CNR2CNR1TOP1CHRM1MCHR1
SCHEMBL21481935 0.91 CNR2 (0.41) CNR2CNR1TOP1CHRM1MCHR1
SCHEMBL21506651 0.86 CNR2 (0.41) CNR2CNR1TOP1CHRM1
SCHEMBL21481826 0.86 CNR2 (0.43) CNR2CNR1TOP1CHRM1MCHR1
SCHEMBL31203357 0.85 CNR2 (0.44) CNR2CNR1CHRM1
SCHEMBL22927215 0.85 CNR2 (0.44) CNR2CNR1CHRM1
SCHEMBL21458210 0.85 CNR2 (0.41) CNR2CNR1TOP1CHRM1
SCHEMBL21458112 0.85 PTGER4 (0.46) CNR2CNR1TOP1CHRM1

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-112313208-B Bicyclic carboxamides and methods of use thereof 泰普斯特医疗公司 2024-04-19 — — CN disclosed
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