SCHEMBL7496755

SCHEMBL7496755

CCn1c(CCC2CCCN2C(=O)C2CCCN2)cc2cc(C#N)ccc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 11/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.39
▸ PFKFB3 Q16875 4/20 0.37
▸ PFKFB2 O60825 3/20 0.37
▸ PFKFB1 P16118 3/20 0.37
▸ DPP8 Q6V1X1 3/20 0.37
▸ FAP Q12884 2/20 0.37
▸ DPP9 Q86TI2 2/20 0.37
▸ DPP7 Q9UHL4 2/20 0.37
▸ PREP P48147 1/20 0.37
▸ SLC6A4 P31645 2/20 0.36
▸ SCN7A Q01118 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35

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
SCHEMBL7496749 1.00 DPP4 (0.41) DPP4HRH3PFKFB3PFKFB2PFKFB1
SCHEMBL7482926 0.93 DPP4 (0.41) DPP4HRH3PFKFB3PFKFB2PFKFB1
SCHEMBL7482932 0.93 DPP4 (0.41) DPP4HRH3PFKFB3PFKFB2PFKFB1
SCHEMBL7494337 0.93 DPP4 (0.41) DPP4HRH3PFKFB3PFKFB2PFKFB1
SCHEMBL7441287 0.91 SLC6A4 (0.40) DPP4HRH3PFKFB3PFKFB2PFKFB1
SCHEMBL7496050 0.91 SLC6A4 (0.40) DPP4HRH3PFKFB3PFKFB2PFKFB1
SCHEMBL7452025 0.91 DPP4 (0.39) DPP4HRH3PFKFB3PFKFB2PFKFB1
SCHEMBL7452013 0.91 DPP4 (0.39) DPP4HRH3PFKFB3PFKFB2PFKFB1
SCHEMBL7452017 0.91 DPP4 (0.39) DPP4HRH3PFKFB3PFKFB2PFKFB1
SCHEMBL7487691 0.90 DPP4 (0.43) DPP4HRH3DPP8FAPDPP9

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
Send feedback