SCHEMBL13622943

SCHEMBL13622943

O=c1cc(-c2ccc(C(F)(F)F)nc2)ccn1-c1ccc2c(ccn2C2CN(CCF)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.51
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL13622687 0.83 MCHR1 (0.52) MCHR1CYP3A4CYP2C19
SCHEMBL13653419 0.80 MCHR1 (0.55) MCHR1
SCHEMBL13622948 0.80 MCHR1 (0.49) MCHR1
SCHEMBL13622864 0.79 MCHR1 (0.58) MCHR1CYP3A4CYP2C19
SCHEMBL13622946 0.73 MCHR1 (0.55) MCHR1CYP3A4CYP2C19
SCHEMBL13025497 0.70 MCHR1 (0.82) MCHR1
SCHEMBL11425615 0.69 MCHR1 (0.88) MCHR1
Hydrochloric Acid SCHEMBL3477840 0.68 MCHR1 (0.87) MCHR1
SCHEMBL173059 0.68 MCHR1 (1.00) MCHR1
SCHEMBL12949855 0.68 MCHR1 (1.00) MCHR1

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-2009137270-A2 AZETIDINE DERIVATIVES H. LUNDBECK A/S (DK) 2009-11-12 WO disclosed