SCHEMBL9256149

SCHEMBL9256149

Fc1ccc(C(c2ccccc2)N2CC[N]CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.55
OPRD1 P41143 5/20 0.55
OPRK1 P41145 5/20 0.55
OPRL1 P41146 4/20 0.55
CACNA1B Q00975 2/20 0.54
CACNA2D1 P54289 1/20 0.54
CACNB1 Q02641 1/20 0.54
CACNA1C Q13936 1/20 0.54
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
CYP2D6 P10635 3/20 0.50
LMNA P02545 3/20 0.50
CHRM2 P08172 3/20 0.50
ADRA2A P08913 3/20 0.50
CHRM1 P11229 3/20 0.50
DRD1 P21728 3/20 0.50
DRD3 P35462 3/20 0.50
SLC6A3 Q01959 3/20 0.50
KCNH2 Q12809 3/20 0.50
HIF1A Q16665 2/20 0.50

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
SCHEMBL3184987 0.93 ACHE (0.54) OPRM1OPRD1OPRK1OPRL1CACNA1B
SCHEMBL42119 0.89 OPRM1 (0.59) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL1381608 0.83 DRD3 (0.66) OPRM1OPRD1OPRK1OPRL1CACNA1B
SCHEMBL9252844 0.83 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1CACNA1B
SCHEMBL16226328 0.82 ACHE (0.63) OPRM1OPRD1OPRK1OPRL1CACNA1B
SCHEMBL9250178 0.82 KCNH2 (0.52) OPRM1OPRD1OPRK1OPRL1MEN1
Hydrochloric Acid SCHEMBL7440651 0.81 ACHE (0.61) OPRM1OPRD1OPRK1OPRL1CACNA1B
SCHEMBL9256147 0.80 OPRM1 (0.59) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL1138320 0.79 MEN1 (0.79) OPRM1OPRD1OPRK1OPRL1CACNA1B
SCHEMBL2615162 0.79 CYP2D6 (0.79) OPRM1OPRD1OPRK1OPRL1CACNA1B

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