SCHEMBL19860801

SCHEMBL19860801

CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 10/20 0.59
▸ AGTR2 P50052 1/20 0.49
▸ ACE2 Q9BYF1 1/20 0.49
▸ S1PR1 P21453 1/20 0.48
▸ CAPN1 P07384 1/20 0.48
▸ SLC15A2 Q16348 1/20 0.47
▸ MMP2 P08253 4/20 0.47
▸ MMP1 P03956 2/20 0.47

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
SCHEMBL27342814 0.81 REN (0.56) RENAGTR2ACE2
SCHEMBL27673678 0.80 REN (0.65) REN
SCHEMBL27335661 0.80 REN (0.65) REN
Triletide SCHEMBL27342203 0.80 REN (0.68) RENACE2
Triletide SCHEMBL29387766 0.80 REN (0.68) RENACE2
Triletide SCHEMBL29403076 0.80 REN (0.68) RENACE2
SCHEMBL7317825 0.80 REN (0.66) REN
SCHEMBL28042599 0.79 REN (0.61) RENAGTR2ACE2SLC15A2
Hydrochloric Acid SCHEMBL27341574 0.78 REN (0.62) REN
SCHEMBL27343925 0.78 MME (0.61) REN

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-9889213-B2 Multimodal imaging of fibrin THE GENERAL HOSPITAL CORPORATION (US) 2018-02-13 — — US disclosed
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