SCHEMBL7488422

SCHEMBL7488422

CCn1c(CC[C@@H]2CCCCN2C(=O)[C@H]2C[C@@H](OC)CN2)cc2ccc(C#N)cc21

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 8/20 0.39
▸ KCNH2 Q12809 3/20 0.39
▸ SLC6A4 P31645 2/20 0.38
▸ DPP4 P27487 10/20 0.38

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
SCHEMBL7488429 1.00 HRH3 (0.39) HRH3KCNH2SLC6A4DPP4
SCHEMBL7491397 0.98 DPP4 (0.40) HRH3KCNH2SLC6A4DPP4
SCHEMBL7491380 0.98 DPP4 (0.40) HRH3KCNH2SLC6A4DPP4
SCHEMBL7483998 0.87 SLC6A4 (0.40) HRH3KCNH2SLC6A4DPP4
SCHEMBL7484009 0.87 SLC6A4 (0.40) HRH3KCNH2SLC6A4DPP4
SCHEMBL7441287 0.87 SLC6A4 (0.40) HRH3KCNH2SLC6A4DPP4
SCHEMBL7496050 0.87 SLC6A4 (0.40) HRH3KCNH2SLC6A4DPP4
SCHEMBL7452025 0.86 DPP4 (0.39) HRH3KCNH2SLC6A4DPP4
SCHEMBL7452013 0.86 DPP4 (0.39) HRH3KCNH2SLC6A4DPP4
SCHEMBL7452017 0.86 DPP4 (0.39) HRH3KCNH2SLC6A4DPP4

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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