SCHEMBL6226841

SCHEMBL6226841

Nc1cc(-c2ccc(Cl)cc2)ccc1OC(=O)NCCc1ccc(CN2CCCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.61
CHRM1 P11229 8/20 0.60
HTR2A P28223 7/20 0.60
CYP2D6 P10635 1/20 0.60
LSS P48449 1/20 0.52
ACHE P22303 1/20 0.43

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
SCHEMBL6225694 0.99 MCHR1 (0.61) MCHR1CHRM1HTR2ACYP2D6LSS
SCHEMBL6223456 0.92 MCHR1 (0.52) MCHR1CHRM1HTR2ACYP2D6LSS
SCHEMBL6222694 0.90 MCHR1 (0.49) MCHR1CHRM1HTR2ACYP2D6LSS
SCHEMBL6223201 0.90 MCHR1 (0.61) MCHR1CHRM1HTR2ACYP2D6LSS
SCHEMBL6224823 0.90 MCHR1 (0.49) MCHR1CHRM1HTR2ACYP2D6LSS
SCHEMBL6225161 0.90 MCHR1 (0.49) MCHR1CHRM1HTR2ACYP2D6LSS
SCHEMBL6224373 0.89 KDM4E (0.49) MCHR1CHRM1HTR2ACYP2D6
SCHEMBL6227479 0.88 MCHR1 (0.51) MCHR1CHRM1HTR2ACYP2D6LSS
SCHEMBL6225461 0.87 MCHR1 (0.47) MCHR1CHRM1HTR2ACYP2D6
SCHEMBL6226147 0.86 MEN1 (0.51) MCHR1CHRM1HTR2ACYP2D6

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-1534689-A1 NOVEL CARBOXAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-06-01 EP disclosed
WO-2004024702-A1 NOVEL CARBOXAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-25 WO disclosed