SCHEMBL7491327

SCHEMBL7491327

CCn1c(CC[C@@H]2CCCN2C(=O)Cc2cccc(OCC(N)=O)c2)cc2ccc(C(=N)N)cc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 9/20 0.38
▸ F2 P00734 4/20 0.38
▸ ITGB3 P05106 2/20 0.36
▸ ITGA2B P08514 2/20 0.36
▸ SPHK2 Q9NRA0 2/20 0.35
▸ CPT2 P23786 1/20 0.35
▸ CPT1A P50416 1/20 0.35
▸ F7 P08709 1/20 0.35
▸ PRSS1 P07477 5/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 1/20 0.35
▸ SPHK1 Q9NYA1 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ FKBP1A P62942 1/20 0.34
▸ PLAU P00749 2/20 0.34

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
SCHEMBL7486565 0.88 F2 (0.38) F10F2F7PRSS1PLAU
SCHEMBL7447663 0.88 PLAU (0.40) F10F2F7PRSS1PLAU
SCHEMBL7488328 0.87 DPP4 (0.38) F10F2F7
SCHEMBL7491657 0.85 MEN1 (0.40) F10F2
SCHEMBL7447646 0.80 F2 (0.39) F10F2ITGB3ITGA2BSPHK2
SCHEMBL7491570 0.80 F10 (0.42) F10F2SPHK2F7PRSS1
SCHEMBL7488683 0.80 F2 (0.37) F10F2ITGB3ITGA2BSPHK2
SCHEMBL7448832 0.80 F2 (0.39) F10F2ITGB3ITGA2BSPHK2
SCHEMBL7493490 0.79 NOS3 (0.39) F10F2PRSS1SPHK1
SCHEMBL7488281 0.78 F2 (0.38) F10F2SPHK2F7PRSS1

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-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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