SCHEMBL4609563

SCHEMBL4609563

COc1cnc(F)c(-c2ccc(Cl)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 2/20 0.44
ALOX12 P18054 2/20 0.44
ALOX15 P16050 1/20 0.44
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
MDM2 Q00987 2/20 0.41
GCGR P47871 1/20 0.41
MAPK14 Q16539 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
PIM1 P11309 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 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
SCHEMBL4609561 0.84 CHRNB4 (0.39) NPSR1MEN1KMT2ACHRNB4CHRNA3
SCHEMBL411023 0.79 BACE1 (0.44) MEN1KMT2ACYP11B1CYP11B2CYP1A2
Hydrochloric Acid SCHEMBL3773493 0.74 CHRNB4 (0.40) CHRNB4CHRNA3CHRNA7
SCHEMBL26094881 0.73 MEN1 (0.35) MEN1KMT2ACYP11B1CYP11B2CYP1A2
SCHEMBL3143008 0.73 CHRNB4 (0.39) MEN1KMT2ACHRNB4CHRNA3CHRNA7
SCHEMBL10501932 0.73 SMN1; SMN2 (0.49) NPSR1MEN1KMT2AMAPTALOX12
Hydrochloric Acid SCHEMBL3773488 0.72 CHRNB4 (0.39) MEN1KMT2ACHRNB4CHRNA3CHRNA7
SCHEMBL2436276 0.72 CLK4 (0.52) NPSR1MEN1KMT2AMAPTALOX15
SCHEMBL30189821 0.71 SQOR (0.40) MEN1KMT2AMAPTGCGRMAPK14
SCHEMBL18557563 0.69 MEN1 (0.49) NPSR1MEN1KMT2AMAPTALOX12

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-A1 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Les Laboratoires Servier (FR) 2008-10-15 EP disclosed
WO-2007085750-A1 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2007-08-02 WO disclosed