SCHEMBL9258139

SCHEMBL9258139

Cc1ccc(C2NC(C(=O)NCCN3CCC(=C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)CS2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.40
▸ OPRD1 P41143 3/20 0.40
▸ HTR7 P34969 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ DGKA P23743 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ DRD2 P14416 2/20 0.40
▸ DRD4 P21917 2/20 0.40
▸ HTR2A P28223 2/20 0.40
▸ HTR2C P28335 2/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ MEN1 O00255 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
SCHEMBL9259166 0.95 HTR7 (0.41) OPRM1OPRD1HTR7ALDH1A1LMNA
SCHEMBL9249976 0.89 PTAFR (0.48) OPRM1OPRD1ALDH1A1KCNH2KDM4E
SCHEMBL9249978 0.89 PTAFR (0.48) OPRM1OPRD1ALDH1A1KCNH2KDM4E
SCHEMBL9668898 0.87 PTAFR (0.46) OPRM1OPRD1ALDH1A1HTR2AHTR1A
SCHEMBL9249230 0.84 PTAFR (0.51) OPRM1OPRD1ALDH1A1KCNH2KDM4E
SCHEMBL9249240 0.84 PTAFR (0.51) OPRM1OPRD1ALDH1A1KCNH2KDM4E
SCHEMBL9256690 0.81 PTAFR (0.54) ALDH1A1KDM4EPTAFR
SCHEMBL9256693 0.81 PTAFR (0.54) ALDH1A1KDM4EPTAFR
SCHEMBL9257616 0.76 PTAFR (0.57) ALDH1A1HTR2AHTR1ADRD3SMN1; SMN2
SCHEMBL9257611 0.76 PTAFR (0.57) ALDH1A1HTR2AHTR1ADRD3SMN1; SMN2

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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