SCHEMBL6879647

SCHEMBL6879647

CN(C)c1cc(N[C@H]2CC[C@@H](NC(=O)c3ccnc4ccccc34)CC2)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.49
RAB9A P51151 2/20 0.48
RXFP1 Q9HBX9 3/20 0.48
MAPT P10636 1/20 0.48
ADRA2A P08913 2/20 0.47
KDM4E B2RXH2 2/20 0.47
GLA P06280 1/20 0.47
PKM P14618 1/20 0.47
APEX1 P27695 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
MCL1 Q07820 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TACR1 P25103 1/20 0.47
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46

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
SCHEMBL6879650 1.00 MCHR1 (0.49) MCHR1RAB9ARXFP1MAPTADRA2A
SCHEMBL6877538 0.88 MCHR1 (0.53) MCHR1RAB9ARXFP1MAPTADRA2A
SCHEMBL6877534 0.88 MCHR1 (0.53) MCHR1RAB9ARXFP1MAPTADRA2A
SCHEMBL6879862 0.86 MCHR1 (0.57) MCHR1RAB9AADRA2AKDM4ESMN1; SMN2
SCHEMBL6879865 0.86 MCHR1 (0.57) MCHR1RAB9AADRA2AKDM4ESMN1; SMN2
SCHEMBL6456858 0.85 KLK7 (0.62) RAB9AKDM4EGLAPKMAPEX1
SCHEMBL6456853 0.85 KLK7 (0.62) RAB9AKDM4EGLAPKMAPEX1
SCHEMBL27651773 0.85 MCHR1 (0.52) MCHR1RAB9ARXFP1MAPTADRA2A
SCHEMBL6878501 0.85 RAB9A (0.56) MCHR1RAB9ARXFP1MAPTADRA2A
SCHEMBL6878491 0.85 RAB9A (0.56) MCHR1RAB9ARXFP1MAPTADRA2A

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