SCHEMBL30659503

SCHEMBL30659503

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.63
▸ ERAP2 Q6P179 3/20 0.61
▸ ERAP1 Q9NZ08 3/20 0.61
▸ LNPEP Q9UIQ6 3/20 0.61
▸ ECE1 P42892 3/20 0.59
▸ ALOX15 P16050 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ MPO P05164 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ PMP22 Q01453 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ GHSR Q92847 1/20 0.58
▸ ITGB2 P05107 1/20 0.58
▸ ICAM1 P05362 1/20 0.58
▸ ITGAL P20701 1/20 0.58

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
SCHEMBL1939431 1.00 ACE (0.63) ACEERAP2ERAP1LNPEPECE1
SCHEMBL1939435 1.00 ACE (0.63) ACEERAP2ERAP1LNPEPECE1
SCHEMBL29924977 0.97 GHSR (0.60) ACEERAP2ERAP1LNPEPECE1
SCHEMBL29925186 0.97 GHSR (0.60) ACEERAP2ERAP1LNPEPECE1
SCHEMBL31468798 0.97 GHSR (0.60) ACEERAP2ERAP1LNPEPECE1
SCHEMBL31253359 0.97 ACE (0.64) ACEERAP2ERAP1LNPEPECE1
SCHEMBL30659508 0.97 ACE (0.64) ACEERAP2ERAP1LNPEPECE1
SCHEMBL29578372 0.95 GHSR (0.62) ACEERAP2ERAP1LNPEPGHSR
SCHEMBL3384748 0.95 GHSR (0.62) ACEERAP2ERAP1LNPEPGHSR
SCHEMBL27702662 0.95 GHSR (0.62) ACEERAP2ERAP1LNPEPGHSR

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-3716948-B1 NOVEL ANALGESIC PHARMACEUTICAL FORMULATIONS AND USES THEREOF CYTOGEL PHARMA LLC (US) 2023-11-22 — — EP disclosed
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