SCHEMBL13594345

SCHEMBL13594345

CCn1cc(CN2CCCC2)c2ccc(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCc3ccccc3)cc21

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F2R P25116 18/20 0.54
▸ F2 P00734 2/20 0.44
▸ SIRT1 Q96EB6 1/20 0.43

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
SCHEMBL13594351 0.91 F2R (0.51) F2RF2
SCHEMBL4407483 0.87 F2R (0.57) F2RF2
SCHEMBL13594346 0.82 F2R (0.52) F2RF2
SCHEMBL13594350 0.81 F2R (0.49) F2RF2
SCHEMBL4405572 0.78 F2R (0.55) F2RF2
SCHEMBL8495526 0.78 CTSL (0.54) F2SIRT1
SCHEMBL8495706 0.78 CTSL (0.54) F2SIRT1
SCHEMBL26429562 0.76 CTSL (0.55) F2SIRT1
SCHEMBL1842451 0.76 SIRT2 (0.46) SIRT1
SCHEMBL29374941 0.76 SIRT2 (0.46) SIRT1

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
US-7629319-B2 Heteroaryl peptidomimetics as thrombin receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-08 — — US disclosed
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