SCHEMBL7493319

SCHEMBL7493319

CCOC(=O)CCC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1CCc1cc2ccc(C#N)cc2n1CC

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ USP14 P54578 4/20 0.34
▸ SCN7A Q01118 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ PREP P48147 2/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ SLC6A4 P31645 1/20 0.31
▸ CHRM3 P20309 1/20 0.31

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
SCHEMBL7493329 1.00 DPP4 (0.36) DPP4ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL7488143 0.89 DPP4 (0.38) DPP4SCN7AKCNH2PREPHRH3
SCHEMBL7497266 0.89 DPP4 (0.39) DPP4SCN7AKCNH2PREPHRH3
SCHEMBL7493573 0.89 DPP4 (0.38) DPP4SCN7AKCNH2PREPHRH3
SCHEMBL7493582 0.89 DPP4 (0.38) DPP4SCN7AKCNH2PREPHRH3
SCHEMBL7452050 0.89 DPP4 (0.39) DPP4SCN7AKCNH2PREPHRH3
SCHEMBL7488134 0.89 DPP4 (0.38) DPP4SCN7AKCNH2PREPHRH3
SCHEMBL7491423 0.89 HRH3 (0.35) DPP4ALDH1A1KDM4EUSP14HRH3
SCHEMBL7491413 0.89 HRH3 (0.35) DPP4ALDH1A1KDM4EUSP14HRH3
SCHEMBL7485497 0.89 HRH3 (0.35) ALDH1A1USP14SCN7AKCNH2HRH3

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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