SCHEMBL9390811

SCHEMBL9390811

NCCCC[C@H](NC(=O)CNC(=O)C(N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.53
▸ GHSR Q92847 4/20 0.50
▸ OPRD1 P41143 2/20 0.47
▸ CCKAR P32238 1/20 0.47
▸ CCKBR P32239 1/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ ACE P12821 1/20 0.46
▸ C5AR1 P21730 1/20 0.46
▸ LTA4H P09960 1/20 0.46
▸ ERAP2 Q6P179 1/20 0.46
▸ ERAP1 Q9NZ08 1/20 0.46
▸ LNPEP Q9UIQ6 1/20 0.46
▸ UTS2R Q9UKP6 1/20 0.45

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
SCHEMBL9390818 1.00 PRMT1 (0.53) PRMT1GHSROPRD1CCKARCCKBR
SCHEMBL30518108 0.96 GHSR (0.52) PRMT1GHSROPRD1OPRM1C5AR1
SCHEMBL31267948 0.92 PRMT1 (0.49) PRMT1GHSROPRD1CCKARCCKBR
SCHEMBL30974064 0.90 GLP1R (0.50) GHSROPRD1CCKARCCKBRC5AR1
SCHEMBL31615095 0.90 GHSR (0.58) GHSR
SCHEMBL30511103 0.89 CCKBR (0.48) PRMT1GHSROPRD1CCKARCCKBR
SCHEMBL29701396 0.88 GHSR (0.55) GHSRACELTA4H
SCHEMBL30259624 0.88 ERAP2 (0.58) GHSRACEERAP2ERAP1
SCHEMBL29619338 0.88 GHSR (0.60) GHSR
SCHEMBL29972999 0.88 GHSR (0.62) GHSR

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-1994018230-A1 INHIBITION OF HIV REPLICATION BY PEPTIDE-COPPER COMPLEXES PROCYTE CORPORATION (US) 1994-08-18 — — WO disclosed
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