SCHEMBL30818411

SCHEMBL30818411

C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 1/20 0.57
▸ HRH1 P35367 2/20 0.53
▸ GHSR Q92847 1/20 0.50
▸ CDYL2 Q8N8U2 1/20 0.49
▸ CDYL Q9Y232 1/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ MMP2 P08253 1/20 0.48
▸ QRFPR Q96P65 1/20 0.48

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
SCHEMBL31181287 0.91 GNPAT (0.54) FURINGHSROPRK1MMP2
SCHEMBL7588115 0.89 OPRK1 (0.49) FURINCDYL2CDYLOPRK1MMP2
SCHEMBL7592267 0.88 OPRD1 (0.49) OPRK1MMP2
SCHEMBL7592268 0.88 OPRD1 (0.49) OPRK1MMP2
SCHEMBL30099540 0.87 MMP2 (0.56) FURINGHSROPRK1MMP2
SCHEMBL20964469 0.87 CTSL (0.49) GHSROPRK1MMP2QRFPR
SCHEMBL31528247 0.86 OPRK1 (0.60) FURINOPRK1
SCHEMBL29446993 0.86 OPRK1 (0.60) FURINOPRK1
SCHEMBL29972565 0.86 CTSL (0.51) GHSROPRK1MMP2QRFPR
SCHEMBL31554972 0.85 MMP2 (0.56) FURINOPRK1MMP2

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-4316595-A2 USE OF CGRP RECEPTOR ANTAGONISTS IN TREATING GLAUCOMA Soares, Christopher, J. (US) 2024-02-07 — — EP disclosed
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