SCHEMBL4451742

SCHEMBL4451742

O=c1cc(C2=CC=C(C(F)(F)F)CN2)ccn1-c1ccc2c(c1)CCN2C1CNC1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.34
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL4455857 0.86 SLC6A2 (0.34) MCHR1HTR2CHTR2B
SCHEMBL13622724 0.76 MCHR1 (0.46) MCHR1HTR2CHTR2B
SCHEMBL13622717 0.72 MCHR1 (0.50) MCHR1HTR2CHTR2B
SCHEMBL13623308 0.71 HTR2C (0.36) MCHR1HTR2CHTR2B
SCHEMBL4442735 0.67 MCHR1 (0.51) MCHR1
SCHEMBL13622867 0.66 MCHR1 (0.53) MCHR1
SCHEMBL4457815 0.64 MCHR1 (0.50) MCHR1HTR2C
SCHEMBL4443651 0.64 MCHR1 (0.46) MCHR1
SCHEMBL13622939 0.63 MCHR1 (0.45) MCHR1
SCHEMBL4444619 0.63 MCHR1 (0.43) MCHR1HTR2CHTR2B

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