SCHEMBL9253495

SCHEMBL9253495

FC(F)(F)c1ccc(C(c2ccccn2)N2CCNCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 5/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP3A4 P08684 1/20 0.47
CYP3A5 P20815 1/20 0.47
OPRM1 P35372 2/20 0.46
OPRK1 P41145 2/20 0.46
OPRL1 P41146 2/20 0.46
IDH1 O75874 4/20 0.43
SLC6A4 P31645 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP19A1 P11511 1/20 0.42
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CACNA1A O00555 1/20 0.41
CACNA2D1 P54289 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNB1 Q02641 1/20 0.41
CACNA1C Q13936 1/20 0.41

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
SCHEMBL7101320 0.85 MEN1 (0.51) OPRD1MEN1KMT2AOPRM1OPRK1
SCHEMBL8694125 0.85 MEN1 (0.67) OPRD1MEN1KMT2AOPRM1OPRK1
SCHEMBL6580465 0.83 CYP2D6 (0.65) OPRD1MEN1KMT2AOPRM1OPRK1
SCHEMBL1743579 0.82 MEN1 (0.72) OPRD1MEN1KMT2AOPRM1OPRK1
SCHEMBL5106757 0.82 CYP2D6 (0.61) OPRD1MEN1KMT2AOPRM1OPRK1
SCHEMBL8304948 0.82 MEN1 (0.55) OPRD1MEN1KMT2ACYP3A4OPRM1
Hydrochloric Acid SCHEMBL5011277 0.81 MEN1 (0.70) OPRD1MEN1KMT2AOPRM1OPRK1
SCHEMBL9256523 0.80 IDH1 (0.48) OPRD1KMT2ACYP3A4CYP3A5OPRM1
SCHEMBL27340085 0.80 IDH1 (0.48) OPRD1KMT2ACYP3A4CYP3A5OPRM1
SCHEMBL16225913 0.79 MEN1 (0.61) OPRD1MEN1KMT2AOPRM1OPRK1

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 3 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
CN-1058780-A Has the active thiazolidine carboxylic acid amides derivative of anti-allergy, their preparation and application SANKYO CO (JP) 1992-02-19 CN 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