SCHEMBL9110307

SCHEMBL9110307

[CH2]CCC/C=C/c1ncc[nH]1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL9110309 1.00 NPC1 (0.37) NPC1RAB9A
SCHEMBL9111892 0.89 NPC1 (0.39) NPC1RAB9A
SCHEMBL3404045 0.82 CYP1A2 (0.38) NPC1RAB9A
SCHEMBL9113677 0.81
SCHEMBL6158534 0.81
SCHEMBL83280 0.79 FAAH (0.38) NPC1RAB9A
SCHEMBL9368454 0.79 FAAH (0.38) NPC1RAB9A
SCHEMBL27191623 0.79 FAAH (0.38) NPC1RAB9A
SCHEMBL83282 0.79 FAAH (0.38) NPC1RAB9A
Bromide SCHEMBL28549910 0.78 FAAH (0.37) NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed