SCHEMBL16378341

SCHEMBL16378341

CCCCc1cn(CCCCn2ccc3cc([N+](=O)[O-])ccc32)nn1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
CNR1 P21554 1/20 0.39
ACHE P22303 1/20 0.39
CNR2 P34972 1/20 0.39
GBA1 P04062 5/20 0.39
GLS O94925 1/20 0.38
HRH4 Q9H3N8 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
GGPS1 O95749 1/20 0.38
HTR7 P34969 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
SCHEMBL16369323 0.98 EPHX2 (0.38) EPHX2CNR1ACHECNR2GBA1
SCHEMBL16378334 0.95 GLS (0.38) EPHX2CNR1ACHECNR2GLS
SCHEMBL16378336 0.95 HTR7 (0.40) EPHX2CNR1ACHECNR2GLS
SCHEMBL16369318 0.93 GLS (0.38) GLSHTR7
SCHEMBL16378230 0.91 GUSB (0.40) GLSHTR7
SCHEMBL16378335 0.90 GGPS1 (0.39) CNR1ACHECNR2GLSGGPS1
SCHEMBL16378338 0.89 HTR7 (0.41) GLSHTR7
SCHEMBL16378339 0.87 CYP19A1 (0.41) CNR1ACHECNR2GGPS1
SCHEMBL16378228 0.84 GUSB (0.43) GLSHTR7
SCHEMBL16378235 0.84 GLS (0.38) GLSHTR7

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
US-8921328-B2 E-selectin antagonists GLYCOMIMETICS, INC. (US) 2014-12-30 US disclosed