SCHEMBL7444342

SCHEMBL7444342

CCOC(=O)CN1CCCC1C(=O)N1CCCC1CCc1cc2cc(C#N)ccc2o1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 20/20 0.50
▸ KCNH2 Q12809 1/20 0.44

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
SCHEMBL7444329 1.00 HRH3 (0.50) HRH3KCNH2
SCHEMBL7489205 0.94 HRH3 (0.42) HRH3KCNH2
SCHEMBL7489197 0.94 HRH3 (0.42) HRH3KCNH2
SCHEMBL7491359 0.85 HRH3 (0.43) HRH3
SCHEMBL7488283 0.85 HRH3 (0.43) HRH3KCNH2
SCHEMBL7488272 0.85 HRH3 (0.43) HRH3KCNH2
SCHEMBL7488638 0.84 HRH3 (0.36) HRH3
SCHEMBL7488647 0.84 HRH3 (0.36) HRH3
SCHEMBL7491853 0.83 HRH3 (0.52) HRH3KCNH2
SCHEMBL7495707 0.82 SLC6A4 (0.35) HRH3KCNH2

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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