SCHEMBL6876563

SCHEMBL6876563

CN(C)c1cc(N[C@H]2CC[C@@H](NC(=O)c3ccccc3COc3ccccc3)CC2)nc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MCHR1 Q99705 9/20 0.47
TP53 P04637 1/20 0.47
ADRA2A P08913 7/20 0.45
KLK7 P49862 1/20 0.44
MAPT P10636 1/20 0.43
OPRL1 P41146 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42
NPY5R Q15761 1/20 0.42

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
SCHEMBL6876569 1.00 RAB9A (0.48) RAB9AMEN1KMT2AMCHR1TP53
SCHEMBL6875248 0.86 MCHR1 (0.49) RAB9AMCHR1TP53ADRA2AMAPT
SCHEMBL6875245 0.86 MCHR1 (0.49) RAB9AMCHR1TP53ADRA2AMAPT
SCHEMBL6875915 0.86 MCHR1 (0.49) RAB9AMCHR1TP53ADRA2AMAPT
SCHEMBL6875907 0.86 MCHR1 (0.49) RAB9AMCHR1TP53ADRA2AMAPT
SCHEMBL6455698 0.85 MCHR1 (0.49) RAB9AMEN1KMT2AMCHR1ADRA2A
SCHEMBL6455699 0.85 MCHR1 (0.49) RAB9AMEN1KMT2AMCHR1ADRA2A
SCHEMBL6874026 0.84 MEN1 (0.52) RAB9AMEN1KMT2AMCHR1TP53
SCHEMBL6874029 0.84 MEN1 (0.52) RAB9AMEN1KMT2AMCHR1TP53
SCHEMBL6455456 0.83 MCHR1 (0.47) RAB9AMEN1KMT2AMCHR1ADRA2A

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