SCHEMBL9622480

SCHEMBL9622480

O=C(O)C(Cc1ccc(C(F)(F)F)cc1)CC(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H](CCc1ccccc1)C(=O)O

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.52
NAALAD2 Q9Y3Q0 2/20 0.51
FOLH1 Q04609 1/20 0.51
ACE P12821 2/20 0.50
CTSL P07711 1/20 0.50
MME P08473 2/20 0.49
CPA1 P15085 1/20 0.49
ACE2 Q9BYF1 1/20 0.49

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
SCHEMBL9622475 1.00 FPR2 (0.52) FPR2NAALAD2FOLH1ACECTSL
SCHEMBL9622589 0.89 NAALAD2 (0.62) NAALAD2FOLH1ACEMME
SCHEMBL9622585 0.89 NAALAD2 (0.62) NAALAD2FOLH1ACEMME
SCHEMBL9622537 0.81 MME (0.53) ACEMMECPA1ACE2
SCHEMBL9622541 0.81 MME (0.53) ACEMMECPA1ACE2
SCHEMBL9622621 0.79 NAALAD2 (0.69) NAALAD2FOLH1ACEMME
SCHEMBL9622623 0.79 NAALAD2 (0.69) NAALAD2FOLH1ACEMME
SCHEMBL5018440 0.76 FPR2 (0.46) FPR2ACECTSLMME
SCHEMBL28556221 0.76 MME (0.68) ACEMMECPA1ACE2
SCHEMBL28556220 0.76 MME (0.68) ACEMMECPA1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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