SCHEMBL7453049

SCHEMBL7453049

CCn1c(CC[C@@H]2CCCN2C(=O)Cc2cccc(O)c2)cc2ccc(C#N)cc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.37
▸ HRH3 Q9Y5N1 4/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ FAP Q12884 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ OPRK1 P41145 1/20 0.33
▸ SCN7A Q01118 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ SPHK2 Q9NRA0 1/20 0.33

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
SCHEMBL7486269 1.00 ROCK2 (0.37) ROCK2HRH3DPP4FAPDPP8
SCHEMBL7496052 0.92 MEN1 (0.39) ROCK2HRH3DPP4SLC6A4
SCHEMBL7447108 0.92 MEN1 (0.39) ROCK2HRH3DPP4SLC6A4
SCHEMBL7491264 0.85 IDH1 (0.36) ROCK2HRH3DPP4FAPDPP8
SCHEMBL7486565 0.85 F2 (0.38) —
SCHEMBL7490466 0.85 HRH3 (0.37) HRH3DPP4HCRTR1HCRTR2SLC6A4
SCHEMBL7490459 0.85 HRH3 (0.37) HRH3DPP4HCRTR1HCRTR2SLC6A4
SCHEMBL7452435 0.84 SLC6A4 (0.38) HRH3HCRTR1HCRTR2SLC6A4SCN7A
SCHEMBL7485841 0.84 SLC6A4 (0.38) HRH3HCRTR1HCRTR2SLC6A4SCN7A
SCHEMBL7489629 0.83 SLC6A4 (0.38) ROCK2HRH3DPP4HCRTR1HCRTR2

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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