SCHEMBL11596331

SCHEMBL11596331

O=c1[nH]c2cc(Cl)ccc2n1C1CCN(C2C=CC(c3ccc(F)cc3F)(c3ccc(F)cc3F)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 10/20 0.48
OPRM1 P35372 5/20 0.47
DRD2 P14416 4/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
HTR2A P28223 1/20 0.47
SLC6A4 P31645 1/20 0.47
DRD3 P35462 1/20 0.47
PLD2 O14939 4/20 0.47
PLD1 Q13393 4/20 0.47

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
Hydrochloric Acid SCHEMBL11593231 0.99 CHRM1 (0.47) CHRM1OPRM1DRD2HTR1AADRA2A
SCHEMBL1153304 0.94 CHRM1 (0.50) CHRM1OPRM1DRD2HTR1AHTR2A
SCHEMBL11593459 0.89 DRD2 (0.51) CHRM1OPRM1DRD2HTR1AADRA2A
SCHEMBL11593000 0.83 CHRM1 (0.56) CHRM1OPRM1DRD2HTR1AADRA2A
SCHEMBL1153122 0.83 CHRM1 (0.52) CHRM1OPRM1DRD2HTR1AHTR2A
Hydrochloric Acid SCHEMBL11592168 0.82 CHRM1 (0.55) CHRM1OPRM1DRD2HTR1AADRA2A
Hydrochloric Acid SCHEMBL1152327 0.82 CHRM1 (0.51) CHRM1OPRM1DRD2HTR1AHTR2A
SCHEMBL11595899 0.81 DRD2 (0.52) CHRM1OPRM1DRD2HTR1AADRA2A
SCHEMBL11593726 0.77 CHRM1 (0.46) CHRM1OPRM1DRD2PLD2PLD1
SCHEMBL11594238 0.76 CHRM1 (0.59) CHRM1OPRM1DRD2PLD2PLD1

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 claimed