SCHEMBL3137050

SCHEMBL3137050

COc1cccc(-c2cc(OCC3(N(C)C(=O)O)CC3)cnc2Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
CTSA P10619 1/20 0.37
HSD17B2 P37059 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
DGAT2 Q96PD7 2/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL3147019 0.90 FFAR4 (0.44) FFAR4
SCHEMBL3147070 0.89 FFAR4 (0.42) FFAR4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3151366 0.86 ABL1 (0.40) FFAR4THRATHRB
SCHEMBL3146681 0.85 CHRNB4 (0.45) FFAR4
SCHEMBL3147054 0.84 FFAR4 (0.38) FFAR4
SCHEMBL3151919 0.84 CYP11B1 (0.42) HSD17B2
SCHEMBL3151018 0.84 FFAR4 (0.40) FFAR4
SCHEMBL3150647 0.83 FFAR4 (0.40) FFAR4
SCHEMBL3257000 0.83 FFAR4 (0.42) FFAR4
SCHEMBL3151053 0.83 CREBBP (0.43) MAPT

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-1979321-B9 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2010-02-17 EP disclosed
EP-1979321-B1 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2009-07-29 EP disclosed