SCHEMBL7898649

SCHEMBL7898649

CCC(=O)c1nc2c(s1)CN(C)CC2

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.53
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
F2 P00734 1/20 0.43
GRM5 P41594 1/20 0.43

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
SCHEMBL19288520 0.87 F10 (0.49) F10F2GRM5
SCHEMBL24533176 0.85 RAD52 (0.46) F10NPC1RAB9AGRM5
SCHEMBL10279507 0.83 F10 (0.50) F10NPC1RAB9AF2GRM5
SCHEMBL1251008 0.83 F10 (0.50) F10F2GRM5
Lithium SCHEMBL30832626 0.82 F10 (0.49) F10F2GRM5
SCHEMBL207703 0.82 F10 (0.49) F10F2GRM5
SCHEMBL765133 0.82 F10 (0.49) F10F2GRM5
Hydrochloric Acid SCHEMBL209036 0.82 F10 (0.49) F10F2GRM5
SCHEMBL20328964 0.82 F10 (0.52) F10F2GRM5
SCHEMBL12922681 0.82 F10 (0.49) F10

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-2010071164-A1 ACTIVATED BLOOD COAGULATION FACTOR X (FXA) INHIBITOR 第一三共株式会社 (JP) 2010-06-24 WO disclosed