SCHEMBL16378334

SCHEMBL16378334

CCCc1cn(CCCCn2ccc3cc([N+](=O)[O-])ccc32)nn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.38
HTR7 P34969 1/20 0.38
CNR1 P21554 1/20 0.38
ACHE P22303 1/20 0.38
CNR2 P34972 1/20 0.38
SLC6A2 P23975 1/20 0.37
DGAT1 O75907 1/20 0.37
CYP19A1 P11511 1/20 0.37
EPHX2 P34913 1/20 0.37
GUSB P08236 1/20 0.37
CA9 Q16790 1/20 0.37
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL16369318 0.98 GLS (0.38) GLSHTR7SLC6A2CYP19A1GUSB
SCHEMBL16378341 0.95 EPHX2 (0.40) GLSHTR7CNR1ACHECNR2
SCHEMBL16378338 0.94 HTR7 (0.41) GLSHTR7SLC6A2CYP19A1GUSB
SCHEMBL16369323 0.93 EPHX2 (0.38) GLSHTR7CNR1ACHECNR2
SCHEMBL16378230 0.92 GUSB (0.40) GLSHTR7SLC6A2DGAT1GUSB
SCHEMBL16378336 0.90 HTR7 (0.40) GLSHTR7CNR1ACHECNR2
SCHEMBL16378337 0.88 SLC6A2 (0.39) GLSHTR7SLC6A2CYP19A1PLG
SCHEMBL16378228 0.85 GUSB (0.43) GLSHTR7SLC6A2CYP19A1GUSB
SCHEMBL16378335 0.84 GGPS1 (0.39) GLSCNR1ACHECNR2SLC6A2
SCHEMBL16378339 0.83 CYP19A1 (0.41) CNR1ACHECNR2SLC6A2CYP19A1

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