SCHEMBL8305212

SCHEMBL8305212

COc1ccc(C(c2ccc(OC)cc2)N2CCN(C=O)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 4/20 0.54
CACNB1 Q02641 4/20 0.54
CACNA1B Q00975 3/20 0.54
CACNA1C Q13936 2/20 0.54
CACNA1G O43497 2/20 0.54
OPRD1 P41143 4/20 0.54
OPRM1 P35372 4/20 0.54
OPRK1 P41145 2/20 0.54
OPRL1 P41146 2/20 0.54
CYP2D6 P10635 2/20 0.47
USP2 O75604 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CACNA1A O00555 1/20 0.46
LMNA P02545 2/20 0.46
SMAD3 P84022 1/20 0.46
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 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
SCHEMBL7915438 0.80 OPRM1 (0.61) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL3263616 0.79 CHRM2 (0.60) CACNA2D1CACNB1CACNA1BCACNA1COPRD1
SCHEMBL3261754 0.78 ACHE (0.54) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL3263286 0.78 CHRM2 (0.58) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL27356097 0.75 OPRM1 (0.53) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL8122955 0.75 OPRD1 (0.65) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL3667966 0.75 L3MBTL1 (0.57) LMNAGAASMN1; SMN2ALDH1A1MAPT
SCHEMBL9257372 0.75 OPRM1 (0.54) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL23033301 0.73 CHRM2 (0.40) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL9251268 0.73 OPRM1 (0.59) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G

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
EP-0710661-B1 Amino acid derivative having anti-CKK activity TOBISHI PHARMACEUTICAL CO (JP) 1999-03-31 EP disclosed
US-5716958-A GASTROINTESTINAL DISORDERS; INHIBITORY ACTIVITY ON CHOLECYSTOKININ TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1998-02-10 US disclosed
EP-0710661-A1 Amino acid derivative having anti-CKK activity TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1996-05-08 EP disclosed