SCHEMBL11596136

SCHEMBL11596136

O=c1[nH]c2cc(C(F)(F)F)ccc2n1C1CCN(C2CCC(c3ccc(F)cc3)(c3ccc(F)cc3)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 12/20 0.54
DRD2 P14416 2/20 0.54
OPRM1 P35372 2/20 0.47
PLD2 O14939 3/20 0.46
PLD1 Q13393 3/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHRM2 P08172 3/20 0.44
CHRM4 P08173 3/20 0.44
HSD11B1 P28845 2/20 0.44
CHRM3 P20309 2/20 0.44
CHRM5 P08912 1/20 0.43
KCNH2 Q12809 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
SCHEMBL1152842 0.90 CHRM1 (0.61) CHRM1DRD2OPRM1PLD2PLD1
SCHEMBL11594936 0.86 CHRM1 (0.57) CHRM1DRD2OPRM1PLD2PLD1
SCHEMBL11595730 0.86 CHRM1 (0.55) CHRM1DRD2OPRM1PLD2PLD1
SCHEMBL11595640 0.86 CHRM1 (0.59) CHRM1DRD2OPRM1PLD2PLD1
Hydrochloric Acid SCHEMBL30899388 0.85 CHRM1 (0.58) CHRM1DRD2OPRM1PLD2PLD1
SCHEMBL11592859 0.85 CHRM1 (0.54) CHRM1DRD2OPRM1PLD2PLD1
SCHEMBL1152107 0.84 CHRM1 (0.64) CHRM1DRD2OPRM1PLD2PLD1
SCHEMBL11594258 0.83 OPRM1 (0.52) CHRM1DRD2OPRM1CHRM2CHRM4
SCHEMBL11593726 0.83 CHRM1 (0.46) CHRM1DRD2OPRM1PLD2PLD1
SCHEMBL11594089 0.82 CHRM1 (0.57) CHRM1DRD2OPRM1PLD2PLD1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4076821-A 4,4-Diphenylcycloalkylpiperidines and psychotropic compositions thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JA) 1978-02-28 US disclosed