SCHEMBL9293279

SCHEMBL9293279

[CH2]CCNC(=O)OC(C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.50
HCAR2 Q8TDS4 1/20 0.46
KCNA5 P22460 3/20 0.43
KCNA3 P22001 1/20 0.43
LPAR1 Q92633 3/20 0.43
LPAR3 Q9UBY5 2/20 0.43
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
NAAA Q02083 1/20 0.40
HPGD P15428 2/20 0.40
CASR P41180 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL10639479 0.86 OPRM1 (0.51) OPRM1HCAR2KCNA5KCNA3LPAR1
SCHEMBL11186607 0.86 OPRM1 (0.51) OPRM1HCAR2KCNA5KCNA3LPAR1
SCHEMBL9831112 0.84 OPRM1 (0.50) OPRM1HCAR2KCNA5KCNA3LPAR1
SCHEMBL17550883 0.84 OPRM1 (0.50) OPRM1HCAR2KCNA5KCNA3LPAR1
Hydrochloric Acid SCHEMBL28345934 0.83 OPRM1 (0.49) OPRM1HCAR2KCNA5KCNA3LPAR1
SCHEMBL9828137 0.83 HTT (0.56) OPRM1HCAR2HPGDALDH1A1HTT
SCHEMBL9308871 0.83 NAAA (0.51) OPRM1NAAAALDH1A1SMN1; SMN2HTT
SCHEMBL10638831 0.82 OPRM1 (0.53) OPRM1HCAR2KCNA5KCNA3LPAR1
SCHEMBL27941408 0.81 OPRM1 (0.52) OPRM1HCAR2KCNA5KCNA3LPAR1
SCHEMBL19750478 0.81 OPRM1 (0.47) OPRM1HCAR2KCNA5KCNA3LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE34722-E Antiulcer agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US disclosed
US-4578381-A ANTIULCER AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-03-25 US disclosed