SCHEMBL6880736

SCHEMBL6880736

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=S)Nc3ccc(C(C)(C)C)cc3)CC2)nc2c1CCCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 7/20 0.39
NPC1 O15118 4/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
EPHX1 P07099 1/20 0.39
EPHX2 P34913 1/20 0.39
ADRA2A P08913 4/20 0.38
MCHR1 Q99705 4/20 0.38
HRH1 P35367 3/20 0.38
HTR2B P41595 3/20 0.38
GAA P10253 2/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL6880739 1.00 SMN1; SMN2 (0.41) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL6873273 0.92 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL6873270 0.92 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL6878792 0.89 SMN1; SMN2 (0.43) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL6878795 0.89 SMN1; SMN2 (0.43) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL6878845 0.89 SMN1; SMN2 (0.52) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL6878840 0.89 SMN1; SMN2 (0.52) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL6875728 0.89 EPHX1 (0.54) SMN1; SMN2LMNARAB9ANPC1EPHX1
SCHEMBL6875734 0.89 EPHX1 (0.54) SMN1; SMN2LMNARAB9ANPC1EPHX1
SCHEMBL6456275 0.89 SMN1; SMN2 (0.41) SMN1; SMN2LMNAHTTMEN1KMT2A

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