SCHEMBL9021772

SCHEMBL9021772

CCOC(=O)CN1C2CCC1CC(NC(=O)c1ccc(NC(C)=O)cc1OC)C2

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CXCR6 O00574 12/20 0.48
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MCHR1 Q99705 1/20 0.43

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
SCHEMBL9021741 0.96 CXCR6 (0.53) CXCR6
SCHEMBL9022056 0.89 TSHR (0.43) CXCR6ALDH1A1LMNAHPGDL3MBTL1
SCHEMBL9021398 0.89 OPRK1 (0.53) CXCR6
SCHEMBL9022015 0.88 TSHR (0.49) CXCR6
SCHEMBL9021529 0.86 TSHR (0.48) CXCR6
SCHEMBL9021580 0.85 TSHR (0.47) CXCR6
SCHEMBL9021658 0.84 HTR4 (0.52) CXCR6
SCHEMBL9021904 0.82 DRD2 (0.62) L3MBTL1MCHR1
SCHEMBL9021379 0.80 DRD2 (0.53) CXCR6
Maleic Acid SCHEMBL9021974 0.80 HTR4 (0.47) CXCR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640601-B1 BENZAMIDE DERIVATIVE HOKURIKU PHARMACEUTICAL (JP) 1996-12-04 EP disclosed
US-5500422-A FOR TREATING GASTROINTESTINAL DISEASES HOKURIKU SEIYAKU CO. LTD. (JP) 1996-03-19 US disclosed
US-5395832-A Gastrointestinal disorders HOKURIKU SEIYAKU CO., LTD. (JP) 1995-03-07 US disclosed
EP-0640601-A1 BENZAMIDE DERIVATIVE HOKURIKU SEIYAKU CO., LTD. (JP) 1995-03-01 EP disclosed