SCHEMBL13622868

SCHEMBL13622868

O=c1cc(-c2ccc(F)cn2)ccn1-c1ccc2c(c1)CCN2C1CN(CCF)C1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.50
AVPR2 P30518 3/20 0.41
AVPR1B P47901 2/20 0.37
AVPR1A P37288 2/20 0.37

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
SCHEMBL4443651 0.87 MCHR1 (0.46) MCHR1AVPR2
SCHEMBL4448473 0.82 AVPR2 (0.36) MCHR1AVPR2AVPR1BAVPR1A
SCHEMBL13622948 0.81 MCHR1 (0.49) MCHR1
SCHEMBL13622939 0.81 MCHR1 (0.45) MCHR1
SCHEMBL13622680 0.81 MCHR1 (0.48) MCHR1
SCHEMBL13622867 0.80 MCHR1 (0.53) MCHR1
SCHEMBL13622679 0.79 MCHR1 (0.49) MCHR1
SCHEMBL4456061 0.76 MCHR1 (0.42) MCHR1
SCHEMBL13622942 0.75 MCHR1 (0.46) MCHR1
SCHEMBL13622717 0.75 MCHR1 (0.50) 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