SCHEMBL28540951

SCHEMBL28540951

Cc1cc(CN2CC(S(=O)(=O)O)C2)ncc1OC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 6/20 0.34
▸ PPARG P37231 2/20 0.34
▸ PPARD Q03181 2/20 0.34
▸ PPARA Q07869 2/20 0.34
▸ CACNA1G O43497 1/20 0.33
▸ CACNA1H O95180 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33
▸ CACNA1I Q9P0X4 1/20 0.33
▸ ALOX5AP P20292 1/20 0.32
▸ RXRB P28702 2/20 0.32
▸ MAP3K12 Q12852 3/20 0.31
▸ F9 P00740 2/20 0.31
▸ F10 P00742 2/20 0.31
▸ S1PR1 P21453 1/20 0.30
▸ TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL28537629 0.78 HCRTR1 (0.32) MCHR1PPARGPPARDPPARAF9
SCHEMBL28422546 0.76 S1PR1 (0.35) RXRBS1PR1
SCHEMBL28894986 0.73 RET (0.32) —
SCHEMBL23044980 0.70 MCHR1 (0.35) MCHR1
SCHEMBL28535034 0.68 SLC6A4 (0.31) MCHR1
SCHEMBL28427006 0.66 PDE2A (0.38) MCHR1RXRB
SCHEMBL23057529 0.65 ABL1 (0.37) MCHR1
SCHEMBL30932106 0.65 ABL1 (0.37) MCHR1
SCHEMBL23044984 0.65 MCHR1 (0.33) MCHR1
SCHEMBL28910792 0.64 KCNH2 (0.42) MCHR1

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-112409333-A Phenylpyrrolidines 湖北生物医药产业技术研究院有限公司 2021-02-26 — — CN disclosed
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