SCHEMBL6879009

SCHEMBL6879009

CN(C)c1cc(NC2CCC(CNC(=O)c3cc(F)ccc3Cl)CC2)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.47
ACACA Q13085 3/20 0.47
MCHR1 Q99705 10/20 0.47
ADRA2A P08913 5/20 0.47
NPY5R Q15761 4/20 0.47
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CRHR1 P34998 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL6879003 1.00 ACACB (0.47) ACACBACACAMCHR1ADRA2ANPY5R
SCHEMBL6875014 0.93 NPC1 (0.52) ACACBACACAMCHR1ADRA2ANPY5R
SCHEMBL6875012 0.93 NPC1 (0.52) ACACBACACAMCHR1ADRA2ANPY5R
SCHEMBL6874785 0.90 MCHR1 (0.47) ACACBACACAMCHR1ADRA2ANPY5R
SCHEMBL6874792 0.90 MCHR1 (0.47) ACACBACACAMCHR1ADRA2ANPY5R
SCHEMBL6875578 0.89 MCHR1 (0.47) ACACBACACAMCHR1ADRA2ANPY5R
SCHEMBL6875585 0.89 MCHR1 (0.47) ACACBACACAMCHR1ADRA2ANPY5R
SCHEMBL6459241 0.87 MCHR1 (0.53) MCHR1ADRA2ANPY5R
SCHEMBL6459232 0.87 MCHR1 (0.53) MCHR1ADRA2ANPY5R
SCHEMBL6873100 0.86 ACACB (0.47) ACACBACACAMCHR1ADRA2ANPY5R

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