SCHEMBL8565708

SCHEMBL8565708

Cc1c(CC(=O)N(C)c2ccccc2-c2ccccc2)cccc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.60
▸ POLQ O75417 7/20 0.55
▸ PDCD1 Q15116 4/20 0.42
▸ CD274 Q9NZQ7 4/20 0.42
▸ OPRK1 P41145 1/20 0.39
▸ GPBAR1 Q8TDU6 2/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ TAS2R14 Q9NYV8 1/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ MAPT P10636 1/20 0.37

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
SCHEMBL8566848 0.84 TACR1 (0.53) TACR1POLQPDCD1CD274
SCHEMBL8570068 0.84 TACR1 (0.60) TACR1POLQPDCD1CD274GPBAR1
SCHEMBL8567778 0.80 TACR1 (0.54) TACR1POLQPDCD1CD274MAPT
SCHEMBL8572409 0.79 TACR1 (0.69) TACR1POLQGPBAR1
SCHEMBL8565707 0.75 POLQ (0.52) TACR1POLQPDCD1CD274OPRK1
SCHEMBL6871097 0.75 TACR1 (1.00) TACR1GPBAR1
SCHEMBL30120786 0.74 PTGS2 (0.52) POLQTAS2R14P2RX7
SCHEMBL8720338 0.71 TACR1 (0.57) TACR1MAPT
SCHEMBL8566845 0.71 CD274 (0.53) PDCD1CD274
SCHEMBL4324874 0.70 P2RX7 (0.50) POLQTAS2R14P2RX7

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
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 — — US claimed
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