SCHEMBL6228545

SCHEMBL6228545

O=C(NCCc1ccc(CN2CCCCC2)cc1)Oc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.70
CHRM1 P11229 6/20 0.68
HTR2A P28223 6/20 0.68
CYP2D6 P10635 1/20 0.68
TAAR1 Q96RJ0 1/20 0.60
LSS P48449 1/20 0.56
HRH3 Q9Y5N1 1/20 0.53
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL6223485 0.87 MCHR1 (0.72) MCHR1CHRM1HTR2ACYP2D6TAAR1
SCHEMBL6223590 0.87 MCHR1 (0.59) MCHR1CHRM1HTR2ACYP2D6TAAR1
SCHEMBL6226841 0.84 MCHR1 (0.61) MCHR1CHRM1HTR2ACYP2D6LSS
SCHEMBL6223901 0.84 MCHR1 (0.77) MCHR1CHRM1HTR2ACYP2D6TAAR1
SCHEMBL6225694 0.83 MCHR1 (0.61) MCHR1CHRM1HTR2ACYP2D6TAAR1
SCHEMBL6226422 0.83 TAAR1 (0.54) MCHR1CHRM1HTR2ACYP2D6TAAR1
SCHEMBL3870667 0.82 MCHR1 (1.00) MCHR1CHRM1HTR2ACYP2D6LSS
SCHEMBL6221661 0.82 MCHR1 (0.52) MCHR1CHRM1HTR2ACYP2D6TAAR1
SCHEMBL6224867 0.81 TAAR1 (0.52) MCHR1CHRM1HTR2ACYP2D6TAAR1
SCHEMBL6224697 0.81 MCHR1 (0.57) MCHR1CHRM1HTR2ACYP2D6LSS

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 4 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 claimed
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 claimed
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