SCHEMBL7490288

SCHEMBL7490288

CCn1c(CC[C@@H]2CCCN2C(=O)CNC2CC2)cc2ccc(C#N)cc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 15/20 0.44
▸ DPP8 Q6V1X1 2/20 0.42
▸ DPP9 Q86TI2 2/20 0.42
▸ SLC6A4 P31645 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL7490293 1.00 DPP4 (0.44) DPP4DPP8DPP9SLC6A4KDM4E
SCHEMBL7490820 0.90 DPP4 (0.45) DPP4DPP8DPP9SLC6A4KDM4E
SCHEMBL7490826 0.90 DPP4 (0.45) DPP4DPP8DPP9SLC6A4KDM4E
SCHEMBL7490459 0.88 HRH3 (0.37) DPP4SLC6A4KDM4EALDH1A1TSHR
SCHEMBL7490466 0.88 HRH3 (0.37) DPP4SLC6A4KDM4EALDH1A1TSHR
SCHEMBL7485841 0.87 SLC6A4 (0.38) SLC6A4KDM4EALDH1A1TSHRHSD17B10
SCHEMBL7452435 0.87 SLC6A4 (0.38) SLC6A4KDM4EALDH1A1TSHRHSD17B10
SCHEMBL7486268 0.86 SCN7A (0.38) SLC6A4KDM4EALDH1A1TSHRHSD17B10
SCHEMBL7452780 0.86 SCN7A (0.38) SLC6A4KDM4EALDH1A1TSHRHSD17B10
SCHEMBL7504554 0.86 DPP4 (0.41) DPP4KDM4EALDH1A1TSHRPOLB

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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