SCHEMBL7486885

SCHEMBL7486885

CCn1c(CCC2CCN2C(=O)C2CCCN2)cc2ccc(C#N)cc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 7/20 0.38
▸ SCN7A Q01118 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ CCR9 P51686 2/20 0.35
▸ CTSC P53634 1/20 0.34
▸ PFKFB3 Q16875 4/20 0.34
▸ PFKFB2 O60825 3/20 0.34
▸ PFKFB1 P16118 3/20 0.34
▸ PREP P48147 1/20 0.34
▸ FAP Q12884 1/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34
▸ DPP9 Q86TI2 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34
▸ FASN P49327 1/20 0.33
▸ ROCK2 O75116 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
SCHEMBL7486877 1.00 DPP4 (0.38) DPP4SCN7AKCNH2SLC6A4CCR9
SCHEMBL7482926 0.96 DPP4 (0.41) DPP4SCN7AKCNH2SLC6A4PFKFB3
SCHEMBL7482932 0.96 DPP4 (0.41) DPP4SCN7AKCNH2SLC6A4PFKFB3
SCHEMBL7494337 0.96 DPP4 (0.41) DPP4SCN7AKCNH2SLC6A4PFKFB3
SCHEMBL7441287 0.95 SLC6A4 (0.40) DPP4SCN7AKCNH2SLC6A4PFKFB3
SCHEMBL7496050 0.95 SLC6A4 (0.40) DPP4SCN7AKCNH2SLC6A4PFKFB3
SCHEMBL7484009 0.93 SLC6A4 (0.40) DPP4SCN7AKCNH2SLC6A4CCR9
SCHEMBL7483998 0.93 SLC6A4 (0.40) DPP4SCN7AKCNH2SLC6A4CCR9
SCHEMBL7452025 0.93 DPP4 (0.39) DPP4SCN7AKCNH2SLC6A4CTSC
SCHEMBL7452013 0.93 DPP4 (0.39) DPP4SCN7AKCNH2SLC6A4CTSC

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