SCHEMBL3472074

SCHEMBL3472074

Cc1cccn2c(I)c(C[C@@H]3CCCCN3C(=O)O)nc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 6/20 0.38
MAPK1 P28482 4/20 0.38
THRB P10828 1/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 2/20 0.37
RXFP1 Q9HBX9 2/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DAGLA Q9Y4D2 1/20 0.36

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
SCHEMBL3470606 0.89 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MAPK1THRBTP53
SCHEMBL4170825 0.88 DPP4 (0.39) MEN1KMT2ANPC1RAB9ADAGLA
SCHEMBL4167405 0.88 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1MAPK1THRBTP53
SCHEMBL2517432 0.86 PDE8B (0.41) SMN1; SMN2ALDH1A1THRBTP53MEN1
SCHEMBL4157352 0.82 MEN1 (0.40) ALDH1A1TP53MEN1KMT2ARXFP1
SCHEMBL4163254 0.79 DPP4 (0.39) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL3676086 0.77 KDM4E (0.56) SMN1; SMN2ALDH1A1MAPK1HPGDKDM4E
SCHEMBL2512520 0.76 PDE8B (0.42) ALDH1A1MAPK1THRBTP53MEN1
SCHEMBL2124842 0.76 PDE8B (0.40) MEN1KMT2ALMNADAGLA
SCHEMBL4159081 0.75 KDM4E (0.42) ALDH1A1TP53MEN1KMT2AGAA

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
WO-2010072722-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-07-01 WO disclosed