SCHEMBL7487699

SCHEMBL7487699

Cn1c(CCC2CCCN2C(=O)C2CCCN2)cc2cc(C#N)ccc21

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 15/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.40
▸ RORC P51449 1/20 0.40
▸ SLC6A4 P31645 2/20 0.38
▸ DPP8 Q6V1X1 3/20 0.38
▸ FAP Q12884 2/20 0.38
▸ DPP9 Q86TI2 2/20 0.38
▸ DPP7 Q9UHL4 2/20 0.38
▸ PREP P48147 1/20 0.38
▸ ANPEP P15144 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
SCHEMBL7487691 1.00 DPP4 (0.43) DPP4HRH3RORCSLC6A4DPP8
SCHEMBL7496749 0.90 DPP4 (0.41) DPP4HRH3SLC6A4DPP8FAP
SCHEMBL7496755 0.90 DPP4 (0.41) DPP4HRH3SLC6A4DPP8FAP
SCHEMBL7494540 0.87 HRH3 (0.43) HRH3RORCSLC6A4
SCHEMBL7490886 0.85 HRH3 (0.39) HRH3RORCSLC6A4
SCHEMBL7482926 0.84 DPP4 (0.41) DPP4HRH3SLC6A4DPP8FAP
SCHEMBL7494337 0.84 DPP4 (0.41) DPP4HRH3SLC6A4DPP8FAP
SCHEMBL7482932 0.84 DPP4 (0.41) DPP4HRH3SLC6A4DPP8FAP
SCHEMBL7589304 0.82 DPP4 (0.46) DPP4HRH3DPP8FAPDPP9
SCHEMBL7491651 0.82 DPP4 (0.46) 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 1 patent. 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
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