SCHEMBL4611397

SCHEMBL4611397

CNC1(COc2cnc(Cl)c(-c3cccc(C)c3)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.36
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 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
SCHEMBL4761397 0.88 CYP1A2 (0.38)
Hydrochloric Acid SCHEMBL3151086 0.87 CYP1A2 (0.38)
SCHEMBL3145939 0.85 CYP1A2 (0.38)
SCHEMBL3155310 0.84 ABL1 (0.41)
SCHEMBL3145803 0.84 DDT (0.39)
Hydrochloric Acid SCHEMBL3780667 0.84 GABRG2 (0.39)
Hydrochloric Acid SCHEMBL3767934 0.83 DDT (0.38)
SCHEMBL3145932 0.82 CHRNB4 (0.39) CHRNB4CHRNA3CHRNA7
SCHEMBL3150823 0.82 FYN (0.41) KDM1A
SCHEMBL3141373 0.82 KDM1A (0.36) KDM1ACHRNB4CHRNA3CHRNA7

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