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SCHEMBL7489205

SCHEMBL7489205

CCOC(=O)CN1CCCC1C(=O)N1CCCC1CCc1cc2ccc(C#N)cc2o1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 16/20 0.42
▸ KCNH2 Q12809 1/20 0.38
▸ PREP P48147 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SLC6A4 P31645 1/20 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
SCHEMBL7489197 1.00 HRH3 (0.42) HRH3KCNH2PREPMEN1RAB9A
SCHEMBL7444342 0.94 HRH3 (0.50) HRH3KCNH2
SCHEMBL7444329 0.94 HRH3 (0.50) HRH3KCNH2
SCHEMBL7488638 0.85 HRH3 (0.36) HRH3MEN1RAB9AKMT2ASLC6A4
SCHEMBL7488647 0.85 HRH3 (0.36) HRH3MEN1RAB9AKMT2ASLC6A4
SCHEMBL7484052 0.85 F10 (0.41) HRH3PREPMEN1RAB9AKMT2A
SCHEMBL7488272 0.85 HRH3 (0.43) HRH3KCNH2SLC6A4
SCHEMBL7488283 0.85 HRH3 (0.43) HRH3KCNH2SLC6A4
SCHEMBL7491320 0.83 HRH3 (0.46) HRH3KCNH2PREP
SCHEMBL7485506 0.82 HRH3 (0.35) HRH3KCNH2SLC6A4

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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