SCHEMBL7488683

SCHEMBL7488683

CCn1c(CC[C@@H]2CCCN2C(=O)Cc2ccccc2C(=O)O)cc2ccc(C(=N)N)cc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 9/20 0.37
▸ F10 P00742 3/20 0.37
▸ F7 P08709 1/20 0.37
▸ PRSS1 P07477 5/20 0.34
▸ UTS2R Q9UKP6 1/20 0.33
▸ ITGB3 P05106 1/20 0.33
▸ ITGA2B P08514 1/20 0.33
▸ TMPRSS15 P98073 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SPHK1 Q9NYA1 3/20 0.32
▸ SPHK2 Q9NRA0 2/20 0.32

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
SCHEMBL7447663 0.90 PLAU (0.40) F2F10F7PRSS1MEN1
SCHEMBL7488345 0.87 F2 (0.36) F2F10F7PRSS1MEN1
SCHEMBL7494003 0.86 F2 (0.36) F2F10F7PRSS1
SCHEMBL7489622 0.85 SLC6A4 (0.38) UTS2RMEN1NPC1RAB9AKMT2A
SCHEMBL7489629 0.85 SLC6A4 (0.38) UTS2RMEN1NPC1RAB9AKMT2A
SCHEMBL7447646 0.83 F2 (0.39) F2F10F7PRSS1ITGB3
SCHEMBL7486565 0.83 F2 (0.38) F2F10F7PRSS1
SCHEMBL7491570 0.83 F10 (0.42) F2F10F7PRSS1NPC1
SCHEMBL7488328 0.83 DPP4 (0.38) F2F10F7NPC1
SCHEMBL7448832 0.83 F2 (0.39) F2F10F7PRSS1ITGB3

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 3 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
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
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