SCHEMBL6875313

SCHEMBL6875313

CN(C)c1cc(N[C@H]2CC[C@@H](CNC(=O)c3ccccc3I)CC2)nc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.48
NPY5R Q15761 4/20 0.48
ADRA2A P08913 2/20 0.48
ACACB O00763 13/20 0.44
ACACA Q13085 12/20 0.44
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
KCNH2 Q12809 1/20 0.40
NAPEPLD Q6IQ20 1/20 0.40

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
SCHEMBL6875316 1.00 MCHR1 (0.48) MCHR1NPY5RADRA2AACACBACACA
SCHEMBL6878858 0.89 MCHR1 (0.51) MCHR1NPY5RADRA2AACACBACACA
SCHEMBL6878852 0.89 MCHR1 (0.51) MCHR1NPY5RADRA2AACACBACACA
SCHEMBL6876486 0.88 MCHR1 (0.46) MCHR1NPY5RADRA2AACACBACACA
SCHEMBL6876478 0.88 MCHR1 (0.46) MCHR1NPY5RADRA2AACACBACACA
SCHEMBL6876100 0.87 NPY5R (0.47) MCHR1NPY5RADRA2AACACBACACA
SCHEMBL6868954 0.87 MCHR1 (0.48) MCHR1NPY5RADRA2AACACBACACA
SCHEMBL6873100 0.87 ACACB (0.47) MCHR1NPY5RADRA2AACACBACACA
SCHEMBL6873098 0.87 ACACB (0.47) MCHR1NPY5RADRA2AACACBACACA
SCHEMBL6875795 0.87 MCHR1 (0.46) MCHR1NPY5RADRA2AACACBACACA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed