SCHEMBL7452025

SCHEMBL7452025

CCn1c(CCC2CCCN2C(=O)C2CCCCN2)cc2ccc(C#N)cc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 9/20 0.39
▸ SLC6A4 P31645 3/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.37
▸ PREP P48147 1/20 0.36
▸ FAP Q12884 1/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP9 Q86TI2 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.36
▸ PFKFB2 O60825 1/20 0.36
▸ PFKFB1 P16118 1/20 0.36
▸ PFKFB3 Q16875 1/20 0.36
▸ KCNH2 Q12809 2/20 0.35
▸ CTSK P43235 1/20 0.35
▸ CTSC P53634 1/20 0.35
▸ SCN7A Q01118 1/20 0.35
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34

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
SCHEMBL7452013 1.00 DPP4 (0.39) DPP4SLC6A4HRH3PREPFAP
SCHEMBL7452017 1.00 DPP4 (0.39) DPP4SLC6A4HRH3PREPFAP
SCHEMBL7483998 0.98 SLC6A4 (0.40) DPP4SLC6A4HRH3PREPFAP
SCHEMBL7484009 0.98 SLC6A4 (0.40) DPP4SLC6A4HRH3PREPFAP
SCHEMBL7482932 0.97 DPP4 (0.41) DPP4SLC6A4HRH3PREPFAP
SCHEMBL7494337 0.97 DPP4 (0.41) DPP4SLC6A4HRH3PREPFAP
SCHEMBL7482926 0.97 DPP4 (0.41) DPP4SLC6A4HRH3PREPFAP
SCHEMBL7496050 0.97 SLC6A4 (0.40) DPP4SLC6A4HRH3PREPFAP
SCHEMBL7441287 0.97 SLC6A4 (0.40) DPP4SLC6A4HRH3PREPFAP
SCHEMBL7486885 0.93 DPP4 (0.38) DPP4SLC6A4PREPFAPDPP8

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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