SCHEMBL7447010

SCHEMBL7447010

N#Cc1ccc2ccc(CC[C@H]3CCCN3C(=O)[C@H]3CCCN3)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 12/20 0.46
▸ HRH3 Q9Y5N1 6/20 0.44
▸ DPP8 Q6V1X1 4/20 0.40
▸ FAP Q12884 3/20 0.40
▸ DPP9 Q86TI2 3/20 0.40
▸ DPP7 Q9UHL4 3/20 0.40
▸ PREP P48147 1/20 0.40
▸ CTSC P53634 1/20 0.39
▸ CASR P41180 1/20 0.37

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
SCHEMBL7485707 1.00 DPP4 (0.46) DPP4HRH3DPP8FAPDPP9
SCHEMBL7589304 0.97 DPP4 (0.46) DPP4HRH3DPP8FAPDPP9
SCHEMBL7491651 0.97 DPP4 (0.46) DPP4HRH3DPP8FAPDPP9
SCHEMBL7491659 0.97 DPP4 (0.46) DPP4HRH3DPP8FAPDPP9
SCHEMBL7485307 0.83 HRH3 (0.43) DPP4HRH3DPP8FAPDPP9
SCHEMBL7491826 0.83 HRH3 (0.52) DPP4HRH3
SCHEMBL7491817 0.83 HRH3 (0.52) DPP4HRH3
SCHEMBL7487691 0.81 DPP4 (0.43) DPP4HRH3DPP8FAPDPP9
SCHEMBL7487699 0.81 DPP4 (0.43) DPP4HRH3DPP8FAPDPP9
SCHEMBL7494232 0.80 HRH3 (0.46) HRH3

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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