SCHEMBL2364189

SCHEMBL2364189

CC(C(=O)O)C1CCC(N)C(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.45
MAOA P21397 9/20 0.45
KDM1A O60341 10/20 0.40
P2RY14 Q15391 4/20 0.39
HTR2C P28335 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RCOR1 Q9UKL0 3/20 0.39
KDM1B Q8NB78 1/20 0.39

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
SCHEMBL2314346 1.00 MAOB (0.45) MAOBMAOAKDM1AP2RY14HTR2C
SCHEMBL13836670 0.87 MAOB (0.46) MAOBMAOAKDM1AP2RY14HTR2C
SCHEMBL2365228 0.86 KDM1A (0.50) MAOBMAOAKDM1ARCOR1KDM1B
SCHEMBL2315093 0.79 MAOB (0.42) MAOBMAOAKDM1AP2RY14HTR2C
SCHEMBL2320306 0.78 PSEN1 (0.39)
SCHEMBL2320390 0.78 PSEN1 (0.39)
SCHEMBL6917440 0.78 PSEN1 (0.39)
SCHEMBL2315950 0.77 KDM1A (0.43) MAOBMAOAKDM1ARCOR1
SCHEMBL2317616 0.77 PSEN1 (0.35)
SCHEMBL4509426 0.75 P2RY14 (0.39) KDM1AP2RY14HTR2CKDM4EALDH1A1

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-2011092611-A1 AMINOCYCLOHEXANES AND AMINOTETRAHYDROPYRANS AND RELATED COMPOUNDS AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2011-08-04 WO disclosed