SCHEMBL6879704

SCHEMBL6879704

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
MCHR1 Q99705 5/20 0.47
ADRA2A P08913 4/20 0.47
LMNA P02545 5/20 0.45
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALOX12 P18054 2/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
HRH1 P35367 2/20 0.40
HTR2B P41595 2/20 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
SCHEMBL6879711 1.00 MEN1 (0.53) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL6875288 0.91 MCHR1 (0.40) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL6875295 0.91 MCHR1 (0.40) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL6871841 0.90 SMN1; SMN2 (0.55) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL6871842 0.90 SMN1; SMN2 (0.55) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL6868163 0.89 ADRA2A (0.47) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL6878790 0.89 SMN1; SMN2 (0.42) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL6868167 0.89 ADRA2A (0.47) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL6878786 0.89 SMN1; SMN2 (0.42) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL6878573 0.89 MCHR1 (0.47) MEN1KMT2ACYP1A2CYP3A4CYP2D6

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