SCHEMBL9251016

SCHEMBL9251016

COc1ccc(C(c2ccccc2)C2CC[N]CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
ACP3 P15309 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
OPRL1 P41146 1/20 0.44
KDM1A O60341 1/20 0.43
TACR1 P25103 2/20 0.41
MGLL Q99685 1/20 0.41
PBRM1 Q86U86 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL9257882 0.94 ALDH1A1 (0.41) ALDH1A1KDM1AMEN1KMT2A
SCHEMBL4674804 0.85 IDO1 (0.39) OPRD1MGLL
SCHEMBL9668878 0.82 OPRD1 (0.40) OPRM1OPRD1OPRK1OPRL1TACR1
SCHEMBL11610656 0.81 OPRD1 (0.53) OPRD1
SCHEMBL9251008 0.80 IDO1 (0.43) OPRM1OPRD1OPRK1OPRL1TACR1
SCHEMBL9256629 0.79 DRD3 (0.51) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL9253506 0.79 IDO1 (0.41) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL9253016 0.79 MRGPRX1 (0.40) TACR1
SCHEMBL11401169 0.77 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1TACR1
SCHEMBL5491850 0.75 MMP1 (0.49) OPRD1

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-5470851-A Antihistamine, anticoagulants SANKYO COMPANY, LIMITED (JP) 1995-11-28 US disclosed
EP-0463873-A1 Thiazolidinecarboxylic acid amide derivatives having anti-allergic activity, their preparation and their use Sankyo Company Limited (JP) 1992-01-02 EP disclosed