SCHEMBL7898071

SCHEMBL7898071

N[C@@H]1CCCC1c1ccc(F)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.63
SLC6A2 P23975 2/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
SLC6A4 P31645 2/20 0.46
HTR2B P41595 2/20 0.46
SLC6A3 Q01959 2/20 0.46
ATM Q13315 1/20 0.39
NR3C2 P08235 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
KCNH2 Q12809 2/20 0.38
MAOB P27338 2/20 0.38
RCOR1 Q9UKL0 2/20 0.38
KDM1B Q8NB78 1/20 0.38
SLC9A1 P19634 1/20 0.38

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
SCHEMBL4260027 1.00 KDM1A (0.63) KDM1ASLC6A2HTR2AHTR2CSLC6A4
SCHEMBL3717970 1.00 KDM1A (0.63) KDM1ASLC6A2HTR2AHTR2CSLC6A4
SCHEMBL17864289 1.00 KDM1A (0.63) KDM1ASLC6A2HTR2AHTR2CSLC6A4
SCHEMBL3717972 1.00 KDM1A (0.63) KDM1ASLC6A2HTR2AHTR2CSLC6A4
SCHEMBL1645757 1.00 KDM1A (0.63) KDM1ASLC6A2HTR2AHTR2CSLC6A4
SCHEMBL13598557 0.96 KDM1A (0.63) KDM1ASLC6A2HTR2AHTR2CSLC6A4
Pivalamide SCHEMBL8323779 0.84 KDM1A (0.46) KDM1ASLC6A2HTR2AHTR2CSLC6A4
SCHEMBL4607109 0.82 KDM1A (0.43) KDM1ASLC6A4SLC6A3KCNH2MAOB
SCHEMBL4608247 0.81 KDM1A (0.39) KDM1ASLC6A2HTR2CSLC6A3KCNH2
SCHEMBL4606753 0.81 KDM1A (0.42) KDM1AHTR2ANOS3NOS1NOS2

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
WO-2010100606-A1 NOVEL PHENYL IMIDAZOLES AND PHENYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2010-09-10 WO disclosed