SCHEMBL7447663

SCHEMBL7447663

CCn1c(CC[C@@H]2CCCN2C(=O)Cc2ccccc2)cc2ccc(C(=N)N)cc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 1/20 0.40
▸ F2 P00734 11/20 0.39
▸ F10 P00742 4/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PRSS1 P07477 6/20 0.38
▸ F7 P08709 1/20 0.38
▸ AADAT Q8N5Z0 1/20 0.37
▸ TPSAB1 Q15661 1/20 0.36
▸ TPSD1 Q9BZJ3 1/20 0.36
▸ TPSG1 Q9NRR2 1/20 0.36
▸ NOS3 P29474 1/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ MC4R P32245 2/20 0.36
▸ MC3R P41968 2/20 0.36
▸ MC1R Q01726 2/20 0.36

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 0.92 F2 (0.38) PLAUF2F10PRSS1F7
SCHEMBL7488328 0.91 DPP4 (0.38) F2F10NPC1F7
SCHEMBL7493490 0.91 NOS3 (0.39) F2F10MEN1NPC1RAB9A
SCHEMBL7485981 0.90 PLAU (0.41) PLAUF2F10MEN1NPC1
SCHEMBL7488683 0.90 F2 (0.37) F2F10MEN1NPC1RAB9A
SCHEMBL7491657 0.89 MEN1 (0.40) F2F10MEN1KMT2A
SCHEMBL7491327 0.88 F10 (0.38) PLAUF2F10PRSS1F7
SCHEMBL7447646 0.87 F2 (0.39) PLAUF2F10NPC1PRSS1
SCHEMBL7491570 0.87 F10 (0.42) F2F10NPC1PRSS1F7
SCHEMBL7448832 0.86 F2 (0.39) PLAUF2F10NPC1PRSS1

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 4 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
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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