SCHEMBL8572409

SCHEMBL8572409

Cc1cc(C(F)(F)F)ccc1CC(=O)N(C)c1ccccc1-c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 5/20 0.69
▸ POLQ O75417 10/20 0.56
▸ RXRA P19793 1/20 0.45
▸ RXRB P28702 1/20 0.45
▸ RXRG P48443 1/20 0.45
▸ GPBAR1 Q8TDU6 1/20 0.43
▸ PTGDR2 Q9Y5Y4 2/20 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
SCHEMBL6871097 0.82 TACR1 (1.00) TACR1GPBAR1
SCHEMBL8570068 0.81 TACR1 (0.60) TACR1POLQGPBAR1
SCHEMBL8565708 0.79 TACR1 (0.60) TACR1POLQGPBAR1
SCHEMBL8567778 0.77 TACR1 (0.54) TACR1POLQ
SCHEMBL8572406 0.77 POLQ (0.53) TACR1POLQPTGDR2
SCHEMBL8566848 0.77 TACR1 (0.53) TACR1POLQ
SCHEMBL17899450 0.72 RXRA (0.72) POLQRXRARXRBRXRGPTGDR2
SCHEMBL31393799 0.72 TACR1 (0.58) TACR1GPBAR1
SCHEMBL31393791 0.71 TACR1 (0.54) TACR1POLQGPBAR1PTGDR2
SCHEMBL8720338 0.71 TACR1 (0.57) TACR1

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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