SCHEMBL9259166

SCHEMBL9259166

Cc1ccc(C2NC(C(=O)NCCCN3CCC(=C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)CS2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 4/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.39
▸ PTAFR P25105 1/20 0.39
▸ OPRM1 P35372 3/20 0.39
▸ OPRD1 P41143 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ DGKA P23743 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ FPR3 P25089 2/20 0.39
▸ ADRA1A P35348 2/20 0.39
▸ ADRA1B P35368 2/20 0.39
▸ KCNH2 Q12809 1/20 0.39

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
SCHEMBL9258139 0.95 OPRM1 (0.40) HTR7HRH3PTAFROPRM1OPRD1
SCHEMBL9668898 0.92 PTAFR (0.46) HRH3PTAFROPRM1OPRD1ALDH1A1
SCHEMBL9249230 0.89 PTAFR (0.51) PTAFROPRM1OPRD1ALDH1A1KCNH2
SCHEMBL9249240 0.89 PTAFR (0.51) PTAFROPRM1OPRD1ALDH1A1KCNH2
SCHEMBL9249978 0.84 PTAFR (0.48) PTAFROPRM1OPRD1ALDH1A1KCNH2
SCHEMBL9249976 0.84 PTAFR (0.48) PTAFROPRM1OPRD1ALDH1A1KCNH2
SCHEMBL9257616 0.82 PTAFR (0.57) PTAFRALDH1A1HTR1AHTR2ADRD3
SCHEMBL9257611 0.82 PTAFR (0.57) PTAFRALDH1A1HTR1AHTR2ADRD3
SCHEMBL9668961 0.82 PTAFR (0.57) PTAFRALDH1A1HTR1AHTR2ADRD3
SCHEMBL9256732 0.79 PTAFR (0.56) PTAFRALDH1A1HTR1AHTR2ADRD3

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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