Sugi Predict

Sugi Predict / Compounds / SCHEMBL8954002

SCHEMBL8954002

SCHEMBL8954002

CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCCCN)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.47
▸ OPRD1 P41143 10/20 0.45
▸ OPRM1 P35372 9/20 0.45
▸ OPRK1 P41145 1/20 0.43
▸ CTSB P07858 1/20 0.42

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
SCHEMBL9749653 0.98 C5AR1 (0.48) C5AR1OPRD1OPRM1
SCHEMBL8432592 0.98 C5AR1 (0.48) C5AR1OPRD1OPRM1
SCHEMBL9389401 0.98 C5AR1 (0.48) C5AR1OPRD1OPRM1
SCHEMBL9642284 0.98 C5AR1 (0.48) C5AR1OPRD1OPRM1
SCHEMBL8436819 0.91 C5AR1 (0.46) C5AR1OPRD1OPRM1OPRK1
SCHEMBL29961451 0.88 ERAP2 (0.47) OPRD1OPRM1OPRK1
SCHEMBL29904559 0.88 C5AR1 (0.48) C5AR1
SCHEMBL9642387 0.87 C5AR1 (0.43) C5AR1OPRD1OPRM1OPRK1
SCHEMBL9751592 0.87 OPRK1 (0.45) C5AR1OPRK1
SCHEMBL9751589 0.87 OPRK1 (0.45) C5AR1OPRK1

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-5550183-A Metal-peptide compositions and methods for stimulating hair growth PROCYTE CORPORATION (US) 1996-08-27 — — US disclosed
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