SCHEMBL9451652

SCHEMBL9451652

COC(=O)c1ccc(N2CCC(N(C)Cc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.48
MAPT P10636 5/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HSP90AA1 P07900 1/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.46
PDE6D O43924 1/20 0.46
CYP2D6 P10635 1/20 0.45
CHRM1 P11229 1/20 0.45
HRH1 P35367 1/20 0.45
NPY5R Q15761 1/20 0.44
MAPK1 P28482 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 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
SCHEMBL9451629 0.89 MCHR1 (0.59) MCHR1MAPTALDH1A1SMN1; SMN2HSP90AA1
SCHEMBL9451676 0.87 USP2 (0.52) MCHR1MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL9451538 0.87 MAPT (0.48) MCHR1MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL16517731 0.82 LOXL2 (0.51) MAPTALDH1A1SMN1; SMN2HSP90AA1HTT
Fumaric Acid SCHEMBL9451606 0.81 ALDH1A1 (0.47) MCHR1MAPTALDH1A1CYP2D6CHRM1
Fumaric Acid SCHEMBL9451611 0.81 ALDH1A1 (0.47) MCHR1MAPTALDH1A1CYP2D6CHRM1
Hydrochloric Acid SCHEMBL16506850 0.80 LOXL2 (0.50) MAPTALDH1A1SMN1; SMN2HSP90AA1HTT
Cadaverine Tartrate SCHEMBL9451528 0.80 MCHR1 (0.44) MCHR1SMN1; SMN2CYP2D6CHRM1HRH1
SCHEMBL9451716 0.80 LSS (0.55) MAPTCYP2D6CHRM1HRH1KMT2A
SCHEMBL9451671 0.80 MAPT (0.54) MCHR1MAPTALDH1A1SMN1; SMN2HTT

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