SCHEMBL6880440

SCHEMBL6880440

Cc1cc(Cl)ccc1NC(=O)N[C@H]1CC[C@@H](Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.51
MCHR1 Q99705 5/20 0.46
ADRA2A P08913 4/20 0.46
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.41
HTR1A P08908 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
HTR2B P41595 1/20 0.40
NPY5R Q15761 1/20 0.40
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EPHX1 P07099 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL6880443 1.00 KDR (0.51) KDRMCHR1ADRA2ALMNAMAPT
SCHEMBL6880619 0.90 RXFP1 (0.49) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2
SCHEMBL6880627 0.90 RXFP1 (0.49) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2
SCHEMBL6459050 0.89 MCHR1 (0.46) KDRMCHR1ADRA2ALMNAMAPT
SCHEMBL6877259 0.89 SMN1; SMN2 (0.44) KDRMCHR1ADRA2ALMNAMAPT
SCHEMBL6877266 0.89 SMN1; SMN2 (0.44) KDRMCHR1ADRA2ALMNAMAPT
SCHEMBL6466405 0.89 MCHR1 (0.46) KDRMCHR1ADRA2ALMNAMAPT
SCHEMBL6868434 0.88 MCHR1 (0.44) KDRMCHR1ADRA2AKDM4ERAB9A
SCHEMBL6868426 0.88 MCHR1 (0.44) KDRMCHR1ADRA2AKDM4ERAB9A
SCHEMBL6880935 0.88 ADRA2A (0.47) KDRMCHR1ADRA2ALMNAMAPT

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