SCHEMBL9451632

SCHEMBL9451632

CN(Cc1ccc(F)cc1)C1CCN(c2ccc(C#N)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
TP53 P04637 1/20 0.57
DPP4 P27487 3/20 0.52
DPP9 Q86TI2 2/20 0.52
DPP7 Q9UHL4 2/20 0.52
CYP2D6 P10635 4/20 0.50
HRH1 P35367 4/20 0.50
CHRM1 P11229 2/20 0.50
NSD2 O96028 2/20 0.48
KDM1A O60341 1/20 0.42
CYP3A4 P08684 2/20 0.41
CHRNA10 Q9GZZ6 1/20 0.41
CHRNA9 Q9UGM1 1/20 0.41
KCNH2 Q12809 3/20 0.41
AR P10275 1/20 0.40

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
SCHEMBL467367 0.88 MCHR1 (0.47) KDM4ETP53CYP2D6HRH1CHRM1
Hydrochloric Acid SCHEMBL7339715 0.86 MCHR1 (0.47) KDM4ETP53CYP2D6HRH1CHRM1
SCHEMBL14136358 0.85 DPP4 (0.43) KDM4ETP53DPP4DPP9DPP7
SCHEMBL9451716 0.84 LSS (0.55) TP53CYP2D6HRH1CHRM1KCNH2
SCHEMBL9451671 0.84 MAPT (0.54) KDM4ECYP2D6HRH1CHRM1KCNH2
SCHEMBL14183554 0.83 KCNJ1 (0.50) KCNH2
SCHEMBL9451676 0.80 USP2 (0.52) KDM4ETP53CYP2D6HRH1CHRM1
SCHEMBL9451538 0.80 MAPT (0.48) KDM4ETP53CYP2D6HRH1CHRM1
SCHEMBL9451695 0.79 POLB (0.59) CYP2D6HRH1CHRM1KCNH2
SCHEMBL7225036 0.77 KDM4E (0.53) KDM4ETP53HRH1KDM1ACYP3A4

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-5260318-A Phenylpiperidylamines and drugs containing them BASF AKTIENGESELLSCHAFT (DE) 1993-11-09 US disclosed