SCHEMBL9622589

SCHEMBL9622589

O=C(O)C(Cc1ccccc1)CC(Cc1ccccc1)C(=O)N[C@H](CCc1ccccc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 2/20 0.62
FOLH1 Q04609 1/20 0.62
MME P08473 2/20 0.57
ACE P12821 1/20 0.56

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
SCHEMBL9622585 1.00 NAALAD2 (0.62) NAALAD2FOLH1MMEACE
SCHEMBL9622541 0.91 MME (0.53) MMEACE
SCHEMBL9622537 0.91 MME (0.53) MMEACE
SCHEMBL9622475 0.89 FPR2 (0.52) NAALAD2FOLH1MMEACE
SCHEMBL9622480 0.89 FPR2 (0.52) NAALAD2FOLH1MMEACE
SCHEMBL9622621 0.88 NAALAD2 (0.69) NAALAD2FOLH1MMEACE
SCHEMBL9622623 0.88 NAALAD2 (0.69) NAALAD2FOLH1MMEACE
SCHEMBL10767779 0.84 ECE1 (0.60) NAALAD2FOLH1MME
SCHEMBL9622299 0.83 MME (0.80) NAALAD2FOLH1MMEACE
SCHEMBL9622303 0.83 MME (0.80) NAALAD2FOLH1MMEACE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5021430-A Enkephalinase inhibitors, analgesics, hypotensives CIBA-GEIGY CORPORATION (US) 1991-06-04 US claimed
EP-0225292-A2 Certain N-substituted butyramide derivatives CIBA-GEIGY AG (CH) 1987-06-10 EP claimed
US-5166212-A Hypotensive agents, analgesics CIBA-GEIGY CORPORATION (US) 1992-11-24 US disclosed
US-5021430-A Enkephalinase inhibitors, analgesics, hypotensives CIBA-GEIGY CORPORATION (US) 1991-06-04 US disclosed