SCHEMBL30002373

SCHEMBL30002373

NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 4/20 0.53
▸ F2 P00734 1/20 0.53
▸ STAT6 P42226 1/20 0.51
▸ C5AR1 P21730 2/20 0.48
▸ OPRK1 P41145 7/20 0.47
▸ OPRM1 P35372 6/20 0.47
▸ APLNR P35414 1/20 0.47
▸ MC4R P32245 1/20 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
SCHEMBL5969903 0.99 ACE (0.53) ACEF2STAT6C5AR1OPRK1
SCHEMBL5969907 0.94 F2 (0.52) ACEF2STAT6C5AR1OPRK1
SCHEMBL2815390 0.90 F2 (0.49) ACEF2STAT6C5AR1OPRK1
SCHEMBL8953791 0.90 C5AR1 (0.52) ACEF2C5AR1APLNR
SCHEMBL8953877 0.89 C5AR1 (0.55) F2C5AR1APLNR
SCHEMBL10622567 0.88 C5AR1 (0.54) F2C5AR1APLNR
SCHEMBL8953840 0.87 C5AR1 (0.52) ACEF2C5AR1APLNR
SCHEMBL32691458 0.85 SLC6A2 (0.61) F2C5AR1OPRM1
SCHEMBL30617831 0.85 F2 (0.58) F2C5AR1OPRM1APLNR
SCHEMBL31127558 0.85 F2 (0.60) ACEF2C5AR1OPRK1OPRM1

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
WO-2022204461-A1 KITS, COMPOSITIONS, AND METHODS OF TREATING HAIR LOSS ANDREWS NICK (US) 2022-09-29 — — WO disclosed
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