SCHEMBL7488134

SCHEMBL7488134

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.38
▸ SCN7A Q01118 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ PREP P48147 2/20 0.34
▸ HRH3 Q9Y5N1 4/20 0.34
▸ SLC6A4 P31645 2/20 0.33
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32

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
SCHEMBL7488143 1.00 DPP4 (0.38) DPP4SCN7AKCNH2PREPHRH3
SCHEMBL7497266 0.92 DPP4 (0.39) DPP4SCN7AKCNH2PREPHRH3
SCHEMBL7452050 0.92 DPP4 (0.39) DPP4SCN7AKCNH2PREPHRH3
SCHEMBL7493582 0.92 DPP4 (0.38) DPP4SCN7AKCNH2PREPHRH3
SCHEMBL7493573 0.92 DPP4 (0.38) DPP4SCN7AKCNH2PREPHRH3
SCHEMBL7491433 0.89 HRH3 (0.36) DPP4SCN7AKCNH2PREPHRH3
SCHEMBL7491090 0.89 HRH3 (0.36) DPP4SCN7AKCNH2PREPHRH3
SCHEMBL7951419 0.89 HRH3 (0.36) DPP4SCN7AKCNH2PREPHRH3
SCHEMBL7493319 0.89 DPP4 (0.36) DPP4SCN7AKCNH2PREPHRH3
SCHEMBL7493329 0.89 DPP4 (0.36) DPP4SCN7AKCNH2PREPHRH3

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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