SCHEMBL3636493

SCHEMBL3636493

COc1ccc2ccc(F)c(N(C[C@@H]3CN(c4ccc5c(c4)NC(=O)CS5)C(=O)O3)C3CNC3)c2n1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.33
MAOA P21397 4/20 0.31
HPGD P15428 1/20 0.31
CALML3 P27482 1/20 0.31
KCNH2 Q12809 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL3634394 0.91 KCNH2 (0.35) KCNH2
SCHEMBL3629692 0.89 HPGD (0.33) MAOBMAOAHPGDKCNH2ALDH1A1
SCHEMBL16986061 0.82 KCNH2 (0.35) KCNH2
SCHEMBL3635376 0.82 KCNH2 (0.35) KCNH2
SCHEMBL3634497 0.80 KCNH2 (0.34) HPGDKCNH2
SCHEMBL1223138 0.80 KCNH2 (0.36) MAOBMAOACALML3KCNH2ALDH1A1
SCHEMBL1223137 0.80 KCNH2 (0.36) MAOBMAOACALML3KCNH2ALDH1A1
SCHEMBL591214 0.79 GRM2 (0.35) KCNH2
SCHEMBL591227 0.79 GRM2 (0.35) KCNH2
SCHEMBL591465 0.79 GRM2 (0.35) KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2158199-A1 PIPERIDINE COMPOUNDS AND USES THEREOF AstraZeneca AB (SE) 2010-03-03 EP claimed
WO-2008152418-A1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2008-12-18 WO claimed