SCHEMBL7489797

SCHEMBL7489797

CCn1c(CC[C@@H]2CCCN2C(=O)[C@H](N)c2ccccc2)cc2ccc(C#N)cc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 9/20 0.41
▸ DPP8 Q6V1X1 6/20 0.37
▸ DPP9 Q86TI2 3/20 0.37
▸ DPP7 Q9UHL4 3/20 0.37
▸ FAP Q12884 2/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.36
▸ CCR5 P51681 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ ACSS2 Q9NR19 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ F2 P00734 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ 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
SCHEMBL7491799 1.00 DPP4 (0.41) DPP4DPP8DPP9DPP7FAP
SCHEMBL7492498 0.89 CHRM3 (0.37) CCR5CHRM3HCRTR1HCRTR2
SCHEMBL7492513 0.89 CHRM3 (0.37) CCR5CHRM3HCRTR1HCRTR2
SCHEMBL7492507 0.89 CHRM3 (0.37) CCR5CHRM3HCRTR1HCRTR2
SCHEMBL7958035 0.86 EP300 (0.34) DPP4DPP8CCR5CHRM3TACR1
SCHEMBL7958028 0.86 EP300 (0.34) DPP4DPP8CCR5CHRM3TACR1
SCHEMBL7953676 0.85 HRH3 (0.36) DPP4DPP8DPP9DPP7FAP
SCHEMBL7953672 0.85 HRH3 (0.36) DPP4DPP8DPP9DPP7FAP
SCHEMBL7953675 0.85 HRH3 (0.36) DPP4DPP8DPP9DPP7FAP
SCHEMBL7491392 0.84 SLC6A4 (0.42) HRH3ACSS2KCNH2HCRTR1HCRTR2

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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