SCHEMBL6918683

SCHEMBL6918683

O=C(NCc1cc(Cl)ccc1-n1cnnn1)[C@@H]1C[C@@H](F)CN1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.56
CYP3A4 P08684 5/20 0.53
PRSS1 P07477 2/20 0.52
F11 P03951 2/20 0.52
F9 P00740 1/20 0.52
F10 P00742 1/20 0.52
PLAT P00750 1/20 0.52
KLKB1 P03952 1/20 0.52
F7 P08709 1/20 0.52
TBXA2R P21731 1/20 0.52
PRSS3 P35030 1/20 0.52
KCNH2 Q12809 3/20 0.47
MASP2 O00187 1/20 0.46

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
SCHEMBL6914976 0.85 F2 (0.46) F2CYP3A4PRSS1F11F9
SCHEMBL6914966 0.85 F2 (0.46) F2CYP3A4PRSS1F11F9
SCHEMBL6919448 0.85 F2 (0.46) F2CYP3A4PRSS1F11F9
Hydrochloric Acid SCHEMBL23452298 0.84 F2 (0.63) F2CYP3A4PRSS1F11F9
Hydrochloric Acid SCHEMBL29880369 0.84 F2 (0.63) F2CYP3A4PRSS1F11F9
Hydrochloric Acid SCHEMBL6077587 0.84 F2 (0.63) F2CYP3A4PRSS1F11F9
Hydrochloric Acid SCHEMBL23452302 0.84 F2 (0.63) F2CYP3A4PRSS1F11F9
Hydrochloric Acid SCHEMBL6920557 0.84 F2 (0.46) F2CYP3A4PRSS1F11F9
Hydrochloric Acid SCHEMBL6919807 0.84 F2 (0.46) F2CYP3A4PRSS1F11F9
Hydrochloric Acid SCHEMBL6919801 0.84 F2 (0.46) F2CYP3A4PRSS1F11F9

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-2004032834-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2004-04-22 WO disclosed