SCHEMBL9253418

SCHEMBL9253418

CC1CN(C(c2ccccc2)c2ccccc2F)C(C)C[N]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 7/20 0.40
▸ OPRD1 P41143 6/20 0.40
▸ OPRM1 P35372 6/20 0.40
▸ OPRK1 P41145 5/20 0.40
▸ DGKA P23743 1/20 0.38
▸ DGKZ Q13574 1/20 0.38
▸ IDO1 P14902 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ MCOLN2 Q8IZK6 1/20 0.33
▸ SLC6A9 P48067 1/20 0.33
▸ CYP19A1 P11511 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL9256528 0.92 DGKA (0.34) OPRL1OPRD1OPRM1OPRK1DGKA
SCHEMBL9252941 0.86 OPRD1 (0.48) OPRL1OPRD1OPRM1OPRK1SLC6A9
SCHEMBL9253427 0.84 OPRD1 (0.42) OPRL1OPRD1OPRM1OPRK1DGKA
SCHEMBL9256532 0.77 SIGMAR1 (0.38) OPRL1OPRD1OPRM1OPRK1DGKA
SCHEMBL10504492 0.65 OPRK1 (0.49) OPRL1OPRD1OPRM1OPRK1IDO1
SCHEMBL4148340 0.64 SLC6A9 (0.77) OPRL1OPRD1OPRM1OPRK1SLC6A9
SCHEMBL4139479 0.64 SLC6A9 (0.77) OPRL1OPRD1OPRM1OPRK1SLC6A9
SCHEMBL4139483 0.64 SLC6A9 (0.77) OPRL1OPRD1OPRM1OPRK1SLC6A9
SCHEMBL4139475 0.64 SLC6A9 (0.77) OPRL1OPRD1OPRM1OPRK1SLC6A9
SCHEMBL9256147 0.64 OPRM1 (0.59) OPRL1OPRD1OPRM1OPRK1IDO1

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
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