SCHEMBL6223148

SCHEMBL6223148

O=C(NCCc1ccc(CN2CC3C=CC2C3)cc1)Oc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.53
KMT2A Q03164 1/20 0.43
MCHR1 Q99705 5/20 0.42
CHRM1 P11229 2/20 0.42
HTR2A P28223 2/20 0.42
CYP2D6 P10635 1/20 0.42
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
CNR1 P21554 2/20 0.38
FPR2 P25090 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LTA4H P09960 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL6704737 0.85 MCHR1 (0.60) KMT2AMCHR1CHRM1HTR2ACYP2D6
SCHEMBL6228545 0.76 MCHR1 (0.70) TAAR1MCHR1CHRM1HTR2ACYP2D6
SCHEMBL6226364 0.76 TAAR1 (0.52) TAAR1MCHR1CHRM1HTR2ACYP2D6
SCHEMBL6226422 0.75 TAAR1 (0.54) TAAR1KMT2AMCHR1CHRM1HTR2A
SCHEMBL6228341 0.74 TAAR1 (0.53) TAAR1KMT2AMCHR1CHRM1HTR2A
SCHEMBL27564833 0.74 TAAR1 (0.76) TAAR1KMT2ACYP2D6NPC1GAA
SCHEMBL6224182 0.74 TAAR1 (0.49) TAAR1MCHR1CHRM1HTR2ACYP2D6
SCHEMBL6224443 0.73 TAAR1 (0.51) TAAR1MCHR1CHRM1HTR2ACYP2D6
SCHEMBL6223485 0.73 MCHR1 (0.72) TAAR1KMT2AMCHR1CHRM1HTR2A
SCHEMBL6226323 0.70 TAAR1 (0.62) TAAR1KMT2AMCHR1HTR2ACYP2D6

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