SCHEMBL7496176

SCHEMBL7496176

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.35
▸ SCN7A Q01118 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ HCRTR1 O43613 2/20 0.34
▸ HCRTR2 O43614 2/20 0.34
▸ PREP P48147 2/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ ROCK2 O75116 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RORC P51449 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
SCHEMBL7496188 1.00 DPP4 (0.35) DPP4SCN7AKCNH2HCRTR1HCRTR2
SCHEMBL7485271 0.90 HRH3 (0.36) SCN7AKCNH2HCRTR1HCRTR2HRH3
SCHEMBL7485264 0.90 HRH3 (0.36) SCN7AKCNH2HCRTR1HCRTR2HRH3
SCHEMBL7951419 0.88 HRH3 (0.36) DPP4SCN7AKCNH2HCRTR1HCRTR2
SCHEMBL7491433 0.88 HRH3 (0.36) DPP4SCN7AKCNH2HCRTR1HCRTR2
SCHEMBL7491090 0.88 HRH3 (0.36) DPP4SCN7AKCNH2HCRTR1HCRTR2
SCHEMBL7493329 0.88 DPP4 (0.36) DPP4SCN7AKCNH2HCRTR1HCRTR2
SCHEMBL7493319 0.88 DPP4 (0.36) DPP4SCN7AKCNH2HCRTR1HCRTR2
SCHEMBL7489272 0.88 SLC6A4 (0.38) SCN7AKCNH2HCRTR1HCRTR2HRH3
SCHEMBL7488134 0.88 DPP4 (0.38) DPP4SCN7AKCNH2HCRTR1HCRTR2

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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