SCHEMBL4591998

SCHEMBL4591998

CC1CCN(Cc2ccc(NCCCc3ccc(-c4ccc(Cl)cc4)nn3)cc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 20/20 0.78
HTR2A P28223 13/20 0.78
CHRM1 P11229 10/20 0.78

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
SCHEMBL4591690 0.91 MCHR1 (0.67) MCHR1HTR2ACHRM1
SCHEMBL5426586 0.84 MCHR1 (0.74) MCHR1HTR2ACHRM1
SCHEMBL14503852 0.80 MCHR1 (0.81) MCHR1HTR2ACHRM1
SCHEMBL4592187 0.78 MCHR1 (1.00) MCHR1HTR2ACHRM1
SCHEMBL5461378 0.78 MCHR1 (0.62) MCHR1HTR2ACHRM1
SCHEMBL5425531 0.77 MCHR1 (0.68) MCHR1HTR2ACHRM1
SCHEMBL4591272 0.77 MCHR1 (0.64) MCHR1HTR2ACHRM1
SCHEMBL14505115 0.76 MCHR1 (0.62) MCHR1HTR2ACHRM1
SCHEMBL4591565 0.75 MCHR1 (0.80) MCHR1HTR2ACHRM1
SCHEMBL5440352 0.73 MCHR1 (0.54) MCHR1HTR2ACHRM1

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-1943231-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-16 EP disclosed
WO-2007048802-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 WO disclosed