SCHEMBL6877589

SCHEMBL6877589

CN(C)c1cc(N[C@H]2CC[C@@H](NC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.53
EPHX2 P34913 2/20 0.48
MCHR1 Q99705 3/20 0.43
ADRA2A P08913 1/20 0.43
MAPT P10636 1/20 0.43
KIT P10721 2/20 0.42
PDGFRA P16234 2/20 0.42
KDR P35968 1/20 0.41
CXCR3 P49682 1/20 0.41
IGF1R P08069 1/20 0.41

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
SCHEMBL6877349 0.88 EPHX1 (0.56) EPHX1EPHX2MAPTKITPDGFRA
SCHEMBL6877352 0.88 EPHX1 (0.56) EPHX1EPHX2MAPTKITPDGFRA
SCHEMBL6880110 0.87 SIGMAR1 (0.48) EPHX1MCHR1ADRA2AMAPTKDR
SCHEMBL6880103 0.87 SIGMAR1 (0.48) EPHX1MCHR1ADRA2AMAPTKDR
SCHEMBL6878665 0.86 EPHX1 (0.49) EPHX1EPHX2MCHR1ADRA2A
SCHEMBL6878657 0.86 EPHX1 (0.49) EPHX1EPHX2MCHR1ADRA2A
SCHEMBL6880545 0.85 MAPT (0.54) MCHR1ADRA2AMAPTKITPDGFRA
SCHEMBL6880550 0.85 MAPT (0.54) MCHR1ADRA2AMAPTKITPDGFRA
SCHEMBL6876945 0.85 MCHR1 (0.46) EPHX2MCHR1ADRA2A
SCHEMBL6876948 0.85 MCHR1 (0.46) EPHX2MCHR1ADRA2A

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