SCHEMBL9253500

SCHEMBL9253500

Clc1ccccc1C(c1ccccc1)C1CC[N]CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
TDO2 P48775 2/20 0.40
IDO2 Q6ZQW0 2/20 0.40
ACP3 P15309 1/20 0.38
OPRL1 P41146 6/20 0.36
OPRM1 P35372 5/20 0.36
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 4/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34

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
SCHEMBL9253636 0.90 OPRL1 (0.38) IDO1TDO2IDO2OPRL1OPRM1
SCHEMBL4674804 0.82 IDO1 (0.39) IDO1OPRD1
SCHEMBL9253011 0.81 IDO1 (0.39) IDO1TDO2OPRL1OPRM1SLC6A2
SCHEMBL9668868 0.81 ACP3 (0.38) ACP3OPRL1OPRM1SLC6A2SLC6A4
SCHEMBL9253506 0.80 IDO1 (0.41) IDO1TDO2OPRL1OPRM1SLC6A2
SCHEMBL9251008 0.78 IDO1 (0.43) IDO1TDO2OPRL1OPRM1SLC6A2
SCHEMBL9257208 0.74 IDO1 (0.51) IDO1TDO2IDO2OPRM1SLC6A2
SCHEMBL9668878 0.73 OPRD1 (0.40) OPRL1OPRM1OPRD1OPRK1
SCHEMBL9253016 0.73 MRGPRX1 (0.40)
SCHEMBL9253640 0.72 SLC6A4 (0.40) SLC6A2SLC6A4SLC6A3

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