SCHEMBL6875201

SCHEMBL6875201

CN(C)c1nc(NC2CCC(NC(=S)Nc3ccc(F)cc3)CC2)nc2c1CCCC2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.46
ADRA2A P08913 3/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
HTR2B P41595 1/20 0.46
SMN1; SMN2 Q16637 7/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 2/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL6875198 1.00 MCHR1 (0.46) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6878840 0.91 SMN1; SMN2 (0.52) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6878795 0.91 SMN1; SMN2 (0.43) MCHR1ADRA2AHRH1HTR2BSMN1; SMN2
SCHEMBL6878792 0.91 SMN1; SMN2 (0.43) MCHR1ADRA2AHRH1HTR2BSMN1; SMN2
SCHEMBL6878845 0.91 SMN1; SMN2 (0.52) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6879619 0.90 MCHR1 (0.40) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6879626 0.90 MCHR1 (0.40) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6876383 0.90 SMN1; SMN2 (0.51) MCHR1ADRA2AHRH1HTR2BSMN1; SMN2
SCHEMBL6456286 0.90 SMN1; SMN2 (0.41) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6456275 0.90 SMN1; SMN2 (0.41) MCHR1ADRA2AADRA1AHRH1HTR2B

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