SCHEMBL14643273

SCHEMBL14643273

CCC[C@@H](N)c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.44
SLC6A2 P23975 3/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
SLC2A1 P11166 1/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 2/20 0.37
CYP17A1 P05093 1/20 0.36
ROCK1 Q13464 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
GRM8 O00222 1/20 0.35
GRM4 Q14833 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
CYP19A1 P11511 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
SCHEMBL3741345 1.00 DPP4 (0.44) DPP4SLC6A2CYP3A4CYP2C19MAPT
SCHEMBL5346174 0.88 SLC2A1 (0.47) DPP4SLC6A2CYP3A4CYP2C19MAPT
SCHEMBL23222166 0.84 SLC2A1 (0.48) CYP2C19MAPTALDH1A1SLC2A1SLC6A4
SCHEMBL3466160 0.82 SLC6A4 (0.52) DPP4SLC6A2CYP3A4CYP2C19MAPT
SCHEMBL22694641 0.82 DPP4 (0.52) DPP4SLC6A2CYP3A4CYP2C19MAPT
SCHEMBL6854249 0.82 SLC6A4 (0.52) DPP4SLC6A2CYP3A4CYP2C19MAPT
SCHEMBL744414 0.82 SLC6A4 (0.52) DPP4SLC6A2CYP3A4CYP2C19MAPT
SCHEMBL14785710 0.78 DPP4 (0.44) DPP4SLC6A2CYP3A4CYP2C19MAPT
SCHEMBL29154187 0.78 DPP4 (0.44) DPP4SLC6A2CYP3A4CYP2C19MAPT
SCHEMBL4629386 0.78 DPP4 (0.44) DPP4SLC6A2CYP3A4CYP2C19MAPT

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-2013009079-A1 TRIPHENYLENE-BASED COMPOUND AND ORGANIC ELECTROLUMINESCENT DIODE USING SAME 주식회사 두산 (KR) 2013-01-17 WO disclosed