SCHEMBL7447646

SCHEMBL7447646

CCn1c(CC[C@@H]2CCCN2C(=O)CC2CCCC2)cc2ccc(C(=N)N)cc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 7/20 0.39
▸ F10 P00742 3/20 0.39
▸ ITGB3 P05106 4/20 0.38
▸ ITGA2B P08514 4/20 0.38
▸ PRSS1 P07477 3/20 0.37
▸ SPHK1 Q9NYA1 3/20 0.35
▸ PLAU P00749 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ F7 P08709 1/20 0.34
▸ PLG P00747 1/20 0.34
▸ TMPRSS15 P98073 1/20 0.34
▸ SPHK2 Q9NRA0 1/20 0.33

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
SCHEMBL7448832 0.99 F2 (0.39) F2F10ITGB3ITGA2BPRSS1
SCHEMBL7450413 0.90 F10 (0.39) F2F10ITGB3ITGA2BPRSS1
SCHEMBL7491570 0.89 F10 (0.42) F2F10PRSS1SPHK1NPC1
SCHEMBL7447663 0.87 PLAU (0.40) F2F10PRSS1PLAUNPC1
SCHEMBL7488281 0.87 F2 (0.38) F2F10PRSS1SPHK1F7
SCHEMBL7488491 0.85 F2 (0.37) F2F10ITGB3ITGA2BPRSS1
SCHEMBL7489652 0.85 F10 (0.39) F2F10PRSS1SPHK1PLAU
SCHEMBL7486288 0.85 F2 (0.38) F2F10PRSS1SPHK1TMPRSS15
SCHEMBL7492740 0.84 F2 (0.38) F2F10PRSS1SPHK1F7
SCHEMBL7447780 0.84 F2 (0.40) F2F10ITGB3ITGA2BPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0918768-B1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C RES LAB (KR) 2002-01-09 — — EP claimed
US-6201006-B1 ANTICOAGULANTS C & C RESEARCH LABORATORIES (KR) 2001-03-13 — — US claimed
EP-0918768-B1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C RES LAB (KR) 2002-01-09 — — EP disclosed
US-6201006-B1 ANTICOAGULANTS C & C RESEARCH LABORATORIES (KR) 2001-03-13 — — US disclosed
EP-0918768-A1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C Research Laboratories (KR) 1999-06-02 — — EP disclosed
WO-1997045424-A1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C RESEARCH LABORATORIES (KR) 1997-12-04 — — WO disclosed
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