SCHEMBL7489652

SCHEMBL7489652

CCn1c(CC[C@@H]2CCCN2C(=O)C2CCNCC2)cc2ccc(C(=N)N)cc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 9/20 0.39
▸ F2 P00734 7/20 0.39
▸ PLG P00747 2/20 0.34
▸ F7 P08709 1/20 0.34
▸ SPHK1 Q9NYA1 5/20 0.33
▸ SPHK2 Q9NRA0 3/20 0.33
▸ PRSS1 P07477 3/20 0.33
▸ PLAU P00749 1/20 0.32
▸ ST14 Q9Y5Y6 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ROCK2 O75116 1/20 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
SCHEMBL7483939 0.96 F2 (0.36) F10F2PLGF7SPHK1
SCHEMBL7445595 0.93 F10 (0.36) F10F2F7SPHK1SPHK2
SCHEMBL7485931 0.93 F10 (0.36) F10F2F7SPHK1SPHK2
SCHEMBL7483153 0.89 F10 (0.35) F10F2F7SPHK1SPHK2
SCHEMBL7483157 0.89 F10 (0.35) F10F2F7SPHK1SPHK2
SCHEMBL7487779 0.89 F10 (0.37) F10F2F7PRSS1
SCHEMBL7491858 0.88 F2 (0.37) F10F2PLGF7PRSS1
SCHEMBL7491852 0.88 F2 (0.37) F10F2PLGF7PRSS1
SCHEMBL7491570 0.88 F10 (0.42) F10F2F7SPHK1SPHK2
SCHEMBL7447780 0.87 F2 (0.40) F10F2F7SPHK1SPHK2

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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