SCHEMBL6877319

SCHEMBL6877319

Cc1onc(-c2ccccc2)c1NC(=S)N[C@H]1CC[C@@H](Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.40
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK14 Q16539 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
ADRA2A P08913 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
GABRA5 P31644 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6877333 1.00 MCHR1 (0.40) MCHR1KDM4ESMN1; SMN2LMNAMAPK8
SCHEMBL6875042 0.90 KDM4E (0.43) MCHR1KDM4ESMN1; SMN2LMNAMAPK8
SCHEMBL6875022 0.90 KDM4E (0.43) MCHR1KDM4ESMN1; SMN2LMNAMAPK8
SCHEMBL6872718 0.84 ALOX12 (0.49) MCHR1KDM4ESMN1; SMN2LMNAMAPK1
SCHEMBL6872723 0.84 ALOX12 (0.49) MCHR1KDM4ESMN1; SMN2LMNAMAPK1
SCHEMBL4034886 0.84 MCHR1 (0.51) MCHR1MAPK8MAPK14CYP1A2CYP3A4
SCHEMBL4034884 0.84 MCHR1 (0.51) MCHR1MAPK8MAPK14CYP1A2CYP3A4
SCHEMBL6458384 0.83 SMN1; SMN2 (0.46) MCHR1KDM4ESMN1; SMN2LMNAADRA2A
SCHEMBL6458375 0.83 SMN1; SMN2 (0.46) MCHR1KDM4ESMN1; SMN2LMNAADRA2A
SCHEMBL6459146 0.81 SMN1; SMN2 (0.44) MCHR1KDM4ESMN1; SMN2LMNAADRA2A

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