SCHEMBL6878786

SCHEMBL6878786

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=S)Nc3cccc(I)c3)CC2)nc2c1CCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRA2A P08913 9/20 0.39
MCHR1 Q99705 9/20 0.39
ADRA1A P35348 2/20 0.39
HRH1 P35367 2/20 0.39
HTR2B P41595 2/20 0.39
RAB9A P51151 3/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 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
SCHEMBL6878790 1.00 SMN1; SMN2 (0.42) SMN1; SMN2HPGDALOX12POLBLMNA
SCHEMBL6871842 0.90 SMN1; SMN2 (0.55) SMN1; SMN2HPGDALOX12POLBLMNA
SCHEMBL6871841 0.90 SMN1; SMN2 (0.55) SMN1; SMN2HPGDALOX12POLBLMNA
SCHEMBL6878573 0.89 MCHR1 (0.47) SMN1; SMN2HPGDALOX12POLBLMNA
SCHEMBL6879704 0.89 MEN1 (0.53) SMN1; SMN2HPGDALOX12POLBLMNA
SCHEMBL6878582 0.89 MCHR1 (0.47) SMN1; SMN2HPGDALOX12POLBLMNA
SCHEMBL6879711 0.89 MEN1 (0.53) SMN1; SMN2HPGDALOX12POLBLMNA
SCHEMBL6868163 0.89 ADRA2A (0.47) SMN1; SMN2HPGDALOX12POLBLMNA
SCHEMBL6868167 0.89 ADRA2A (0.47) SMN1; SMN2HPGDALOX12POLBLMNA
SCHEMBL6456275 0.89 SMN1; SMN2 (0.41) SMN1; SMN2ALOX12POLBLMNANPC1

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