SCHEMBL2365228

SCHEMBL2365228

CC(C(=O)O)[C@@H]1CC[C@@H](N)[C@H](c2ccc(F)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.50
HRH3 Q9Y5N1 1/20 0.40
MAOB P27338 7/20 0.39
SLC9A1 P19634 1/20 0.39
MAOA P21397 6/20 0.38
RCOR1 Q9UKL0 3/20 0.38
KDM1B Q8NB78 1/20 0.38
SLC6A3 Q01959 4/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 2/20 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
SCHEMBL2314346 0.86 MAOB (0.45) KDM1AMAOBMAOARCOR1KDM1B
SCHEMBL2364189 0.86 MAOB (0.45) KDM1AMAOBMAOARCOR1KDM1B
SCHEMBL13836670 0.72 MAOB (0.46) KDM1AMAOBMAOARCOR1KDM1B
SCHEMBL19609726 0.70 KDM1A (1.00) KDM1AMAOBMAOARCOR1KDM1B
SCHEMBL8144680 0.70 KDM1A (1.00) KDM1AMAOBMAOARCOR1KDM1B
SCHEMBL15200694 0.70 KDM1A (1.00) KDM1AMAOBMAOARCOR1KDM1B
SCHEMBL17984427 0.70 KDM1A (1.00) KDM1AMAOBMAOARCOR1KDM1B
SCHEMBL1800003 0.70 KDM1A (1.00) KDM1AMAOBMAOARCOR1KDM1B
SCHEMBL1835492 0.70 KDM1A (1.00) KDM1AMAOBMAOARCOR1KDM1B
SCHEMBL18023261 0.70 KDM1A (1.00) KDM1AMAOBMAOARCOR1KDM1B

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