SCHEMBL4444404

SCHEMBL4444404

O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(c1)CCN2C1CN(CCF)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.52
KCNH2 Q12809 3/20 0.52
CYP3A4 P08684 3/20 0.49

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
SCHEMBL13622865 0.90 MCHR1 (0.58) MCHR1KCNH2CYP3A4
SCHEMBL4442735 0.85 MCHR1 (0.51) MCHR1KCNH2CYP3A4
SCHEMBL4443651 0.77 MCHR1 (0.46) MCHR1CYP3A4
SCHEMBL13622939 0.76 MCHR1 (0.45) MCHR1CYP3A4
SCHEMBL13622868 0.74 MCHR1 (0.50) MCHR1
SCHEMBL13622948 0.73 MCHR1 (0.49) MCHR1
SCHEMBL15781378 0.73 MCHR1 (0.60) MCHR1KCNH2CYP3A4
Hydrochloric Acid SCHEMBL15769272 0.72 MCHR1 (0.59) MCHR1KCNH2CYP3A4
SCHEMBL15977226 0.70 MCHR1 (0.70) MCHR1KCNH2CYP3A4
SCHEMBL10059384 0.70 MCHR1 (0.70) MCHR1KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

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