SCHEMBL3869846

SCHEMBL3869846

O=C(NCCc1ccc(CN2CCCC2)cc1)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.72
CHRM1 P11229 4/20 0.71
HTR2A P28223 3/20 0.71
CYP2D6 P10635 2/20 0.71
CHRM2 P08172 1/20 0.66
TRPV1 Q8NER1 5/20 0.60
KDM4E B2RXH2 1/20 0.57
CHRM4 P08173 1/20 0.56

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
SCHEMBL5912848 0.92 MCHR1 (0.60) MCHR1CHRM1HTR2ACYP2D6CHRM2
SCHEMBL3877227 0.87 MCHR1 (0.79) MCHR1CHRM1HTR2ACYP2D6KDM4E
SCHEMBL3870965 0.86 MCHR1 (0.75) MCHR1CHRM1HTR2ACYP2D6CHRM2
SCHEMBL3876341 0.86 KDM4E (0.76) MCHR1CHRM1HTR2ACYP2D6KDM4E
SCHEMBL3877390 0.84 MCHR1 (1.00) MCHR1CHRM1HTR2ACYP2D6CHRM4
SCHEMBL11758798 0.84 TRPV1 (0.76) TRPV1
SCHEMBL3868689 0.83 MCHR1 (0.98) MCHR1CHRM1HTR2ACYP2D6CHRM4
SCHEMBL3868266 0.83 MCHR1 (0.82) MCHR1CHRM1HTR2ACYP2D6CHRM4
SCHEMBL3879136 0.83 MCHR1 (1.00) MCHR1CHRM1HTR2ACYP2D6
SCHEMBL3875301 0.83 MCHR1 (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601868-B2 Such as 4-(cyclopropylmethoxy)-N-(2-{4-[1-(1-pyrrolidinyl)ethyl]phenyl}ethyl)benzamide having melanin-concentrating hormone antagonistic action, for prophylaxis and/or treatment of obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-13 US disclosed
US-7601868-B2 Such as 4-(cyclopropylmethoxy)-N-(2-{4-[1-(1-pyrrolidinyl)ethyl]phenyl}ethyl)benzamide having melanin-concentrating hormone antagonistic action, for prophylaxis and/or treatment of obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-13 US disclosed
US-7601868-B2 Such as 4-(cyclopropylmethoxy)-N-(2-{4-[1-(1-pyrrolidinyl)ethyl]phenyl}ethyl)benzamide having melanin-concentrating hormone antagonistic action, for prophylaxis and/or treatment of obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-13 US disclosed