SCHEMBL9435333

SCHEMBL9435333

N#CC1(c2ccccc2)CCC(N2CCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.71
OPRL1 P41146 3/20 0.56
CHRM4 P08173 1/20 0.54
HTR1D P28221 1/20 0.51
KDM1A O60341 1/20 0.48
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 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
SCHEMBL9435497 1.00 OPRM1 (0.71) OPRM1OPRL1CHRM4HTR1DKDM1A
SCHEMBL5469271 0.86 KMT2A (0.55) OPRM1OPRL1HTR1D
SCHEMBL5469268 0.86 KMT2A (0.55) OPRM1OPRL1HTR1D
SCHEMBL5478395 0.86 KMT2A (0.55) OPRM1OPRL1HTR1D
SCHEMBL476404 0.83 OPRM1 (1.00) OPRM1OPRL1CHRM4
SCHEMBL9435749 0.83 OPRM1 (0.48) OPRM1KDM1A
SCHEMBL9435756 0.83 OPRM1 (0.48) OPRM1KDM1A
SCHEMBL23798654 0.82 OPRL1 (0.56) OPRM1OPRL1KDM1A
Hydrochloric Acid SCHEMBL2473959 0.82 OPRM1 (0.97) OPRM1OPRL1CHRM4
SCHEMBL8052905 0.81 OPRM1 (0.69) OPRM1OPRL1CHRM4

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-5371088-A 1-aryl-4-piperazinylcyclohexanecarbonitriles, the preparation and use thereof BASF AKTIENGESELLSCHAFT (DE) 1994-12-06 US disclosed