SCHEMBL9251008

SCHEMBL9251008

COc1ccccc1C(c1ccccc1)C1CC[N]CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
MRGPRX1 Q96LB2 2/20 0.43
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 4/20 0.41
SLC6A3 Q01959 4/20 0.41
CYP19A1 P11511 1/20 0.40
TACR1 P25103 9/20 0.38
CACNA1F O60840 1/20 0.38
CHRM5 P08912 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
GPR65 Q8IYL9 1/20 0.38
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36

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
SCHEMBL9257877 0.91 CA1 (0.40) IDO1TDO2SLC6A2SLC6A4SLC6A3
SCHEMBL9668868 0.81 ACP3 (0.38) SLC6A2SLC6A4SLC6A3TACR1CHRM5
SCHEMBL9251016 0.80 ALDH1A1 (0.44) TACR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL4674804 0.80 IDO1 (0.39) IDO1CYP19A1OPRD1
SCHEMBL9253500 0.78 IDO1 (0.40) IDO1TDO2SLC6A2SLC6A4SLC6A3
SCHEMBL9253011 0.78 IDO1 (0.39) IDO1TDO2SLC6A2SLC6A4SLC6A3
SCHEMBL9256621 0.77 IDO1 (0.51) IDO1TDO2SLC6A2SLC6A4SLC6A3
SCHEMBL9668878 0.74 OPRD1 (0.40) TACR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL9253016 0.74 MRGPRX1 (0.40) MRGPRX1TACR1
SCHEMBL8116971 0.73 ALDH1A1 (0.40) IDO1SLC6A2SLC6A4SLC6A3

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