SCHEMBL9258075

SCHEMBL9258075

Clc1ccccc1C(c1ccccc1)N1CCC[N]CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.54
OPRD1 P41143 4/20 0.54
OPRK1 P41145 4/20 0.54
OPRL1 P41146 4/20 0.54
CACNA2D1 P54289 6/20 0.51
CACNA1B Q00975 6/20 0.51
CACNB1 Q02641 6/20 0.51
CACNA1G O43497 2/20 0.51
CACNA1C Q13936 2/20 0.50
CNR1 P21554 6/20 0.44
CNR2 P34972 4/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
S1PR4 O95977 1/20 0.43
HSP90AA1 P07900 1/20 0.43
S1PR1 P21453 1/20 0.43
AGTR1 P30556 1/20 0.43

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
SCHEMBL9254374 0.94 OPRM1 (0.59) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL9253066 0.91 KDM4E (0.49) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL9250178 0.85 KCNH2 (0.52) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL9253403 0.85 OPRL1 (0.54) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL4243353 0.83 OPRM1 (0.68) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL9250914 0.83 OPRM1 (0.54) OPRM1OPRD1OPRK1OPRL1CNR1
SCHEMBL9257134 0.83 OPRM1 (0.54) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL9258410 0.81 OPRM1 (0.56) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL42119 0.78 OPRM1 (0.59) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL8620125 0.76 CACNA2D1 (0.63) OPRM1OPRD1OPRK1OPRL1CACNA2D1

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