SCHEMBL23044980

SCHEMBL23044980

Cc1cc(N2CC(CS(=O)(=O)O)C2)ncc1OC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 12/20 0.35
▸ RORC P51449 1/20 0.33
▸ ABL1 P00519 3/20 0.32
▸ HCRTR1 O43613 2/20 0.32
▸ HCRTR2 O43614 2/20 0.32
▸ SMO Q99835 2/20 0.31
▸ MCHR2 Q969V1 1/20 0.31

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
SCHEMBL23057529 0.80 ABL1 (0.37) MCHR1ABL1HCRTR1HCRTR2SMO
SCHEMBL30932106 0.80 ABL1 (0.37) MCHR1ABL1HCRTR1HCRTR2SMO
SCHEMBL23044984 0.79 MCHR1 (0.33) MCHR1HCRTR1HCRTR2SMO
SCHEMBL23044954 0.78 HCRTR1 (0.34) MCHR1ABL1HCRTR1HCRTR2
SCHEMBL22129464 0.76 SMO (0.41) SMO
SCHEMBL30932101 0.73 AR (0.40) MCHR1
SCHEMBL22129389 0.73 RET (0.37) HCRTR1HCRTR2SMO
SCHEMBL28540951 0.70 MCHR1 (0.34) MCHR1
SCHEMBL22129474 0.66 PDE10A (0.46) —
SCHEMBL28547292 0.66 PDE3B (0.31) —

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112409333-B Phenylpyrrolidine compounds 武汉人福创新药物研发中心有限公司 2024-06-14 — — CN disclosed
WO-2021036953-A1 PHENYLPYRROLIDINE COMPOUND 湖北生物医药产业技术研究院有限公司 2021-03-04 — — WO disclosed
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
Send feedback