SCHEMBL6226331

SCHEMBL6226331

O=C(NCCc1ccc(CN2CCCC2)cc1)ON1CCC(c2ccc(Cl)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.54
CHRM1 P11229 3/20 0.54
HTR2A P28223 3/20 0.54
CYP2D6 P10635 1/20 0.54
LSS P48449 2/20 0.52
CHRM4 P08173 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HRH3 Q9Y5N1 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CCR1 P32246 1/20 0.45
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
HTR2C P28335 1/20 0.44
EPHX1 P07099 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
SCHEMBL6221442 0.91 MCHR1 (0.55) MCHR1CHRM1HTR2ACYP2D6LSS
SCHEMBL6248548 0.91 CHRM4 (0.49) MCHR1CHRM1HTR2ACYP2D6CHRM4
SCHEMBL6223322 0.89 MCHR1 (0.43) MCHR1CHRM1HTR2ACYP2D6LSS
SCHEMBL6226177 0.88 LSS (0.46) MCHR1CHRM1HTR2ACYP2D6LSS
SCHEMBL3868658 0.84 CHRM4 (0.66) MCHR1CHRM1HTR2ACYP2D6LSS
SCHEMBL6225272 0.83 MCHR1 (0.56) MCHR1CHRM1HTR2ACYP2D6LSS
SCHEMBL6227004 0.83 MCHR1 (0.49) MCHR1CHRM1HTR2ACYP2D6HRH3
SCHEMBL6705571 0.82 ALDH1A1 (0.61) MCHR1CHRM1HTR2ACYP2D6LSS
SCHEMBL6226116 0.82 MCHR1 (0.59) MCHR1CHRM1HTR2ACYP2D6LSS
SCHEMBL6224869 0.82 MCHR1 (0.48) MCHR1CHRM1HTR2ACYP2D6HRH3

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