SCHEMBL9451676

SCHEMBL9451676

CN(Cc1ccc(F)cc1)C1CCN(c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.52
MCHR1 Q99705 1/20 0.50
CYP2D6 P10635 1/20 0.49
CHRM1 P11229 1/20 0.49
HRH1 P35367 1/20 0.49
LTA4H P09960 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPY5R Q15761 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TP53 P04637 2/20 0.44
NOTUM Q6P988 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL9451538 0.91 MAPT (0.48) MCHR1CYP2D6CHRM1HRH1MEN1
SCHEMBL3956758 0.89 MCHR1 (0.61) USP2MCHR1LTA4HNPC1RAB9A
SCHEMBL9451652 0.87 MCHR1 (0.48) MCHR1CYP2D6CHRM1HRH1LTA4H
Cadaverine Tartrate SCHEMBL9451528 0.85 MCHR1 (0.44) MCHR1CYP2D6CHRM1HRH1NPY5R
Fumaric Acid SCHEMBL9451498 0.84 ALDH1A1 (0.47) MCHR1CYP2D6CHRM1HRH1MEN1
Fumaric Acid SCHEMBL9451606 0.84 ALDH1A1 (0.47) MCHR1CYP2D6CHRM1HRH1MEN1
Fumaric Acid SCHEMBL9451496 0.84 ALDH1A1 (0.47) MCHR1CYP2D6CHRM1HRH1MEN1
Fumaric Acid SCHEMBL9451611 0.84 ALDH1A1 (0.47) MCHR1CYP2D6CHRM1HRH1MEN1
SCHEMBL9451671 0.83 MAPT (0.54) MCHR1CYP2D6CHRM1HRH1KMT2A
SCHEMBL9451716 0.83 LSS (0.55) CYP2D6CHRM1HRH1MEN1KMT2A

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