SCHEMBL6877694

SCHEMBL6877694

CN(C)c1cc(NC2CCC(NC(=O)Nc3ccccc3I)CC2)nc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.43
EPHX1 P07099 2/20 0.43
TP53 P04637 1/20 0.42
ADRA2A P08913 8/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
NPY5R Q15761 1/20 0.41
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
SCHEMBL6877686 1.00 MCHR1 (0.43) MCHR1EPHX1TP53ADRA2ASMN1; SMN2
SCHEMBL6460359 0.89 EPHX1 (0.55) MCHR1EPHX1ADRA2ASMN1; SMN2KDM4E
SCHEMBL6880619 0.89 RXFP1 (0.49) MCHR1EPHX1TP53ADRA2ASMN1; SMN2
SCHEMBL6880627 0.89 RXFP1 (0.49) MCHR1EPHX1TP53ADRA2ASMN1; SMN2
SCHEMBL6460357 0.89 EPHX1 (0.55) MCHR1EPHX1ADRA2ASMN1; SMN2KDM4E
SCHEMBL6462318 0.89 RAB9A (0.50) MCHR1EPHX1TP53ADRA2ASMN1; SMN2
SCHEMBL6878207 0.89 MCHR1 (0.44) MCHR1EPHX1TP53ADRA2ASMN1; SMN2
SCHEMBL6462316 0.89 RAB9A (0.50) MCHR1EPHX1TP53ADRA2ASMN1; SMN2
SCHEMBL6878213 0.89 MCHR1 (0.44) MCHR1EPHX1TP53ADRA2ASMN1; SMN2
SCHEMBL6874846 0.88 MCHR1 (0.42) MCHR1EPHX1TP53ADRA2ASMN1; SMN2

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