SCHEMBL7491817

SCHEMBL7491817

N#Cc1ccc2oc(CC[C@@H]3CCCN3C(=O)[C@H]3CCCN3)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 19/20 0.52
▸ DPP4 P27487 1/20 0.44
▸ 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
SCHEMBL7491826 1.00 HRH3 (0.52) HRH3DPP4KCNH2
SCHEMBL7485078 0.87 HRH3 (0.58) HRH3KCNH2
SCHEMBL7491853 0.85 HRH3 (0.52) HRH3KCNH2
SCHEMBL7491651 0.84 DPP4 (0.46) HRH3DPP4
SCHEMBL7589304 0.84 DPP4 (0.46) HRH3DPP4
SCHEMBL7491659 0.84 DPP4 (0.46) HRH3DPP4
SCHEMBL7485707 0.83 DPP4 (0.46) HRH3DPP4
SCHEMBL7447010 0.83 DPP4 (0.46) HRH3DPP4
SCHEMBL7487926 0.80 DPP4 (0.41) HRH3DPP4
SCHEMBL7487916 0.80 DPP4 (0.41) HRH3DPP4

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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