SCHEMBL9565425

SCHEMBL9565425

C[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CC(O)C(=O)O)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 0.72
ACE P12821 7/20 0.72
MMEL1 Q495T6 5/20 0.68

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
SCHEMBL8552272 0.91 MME (0.77) MMEACEMMEL1
SCHEMBL18672611 0.91 MME (0.77) MMEACEMMEL1
SCHEMBL9565409 0.86 MME (0.81) MMEACEMMEL1
Lbq-657 SCHEMBL7433849 0.84 MME (1.00) MMEACEMMEL1
Lbq-657 SCHEMBL489122 0.84 MME (1.00) MMEACEMMEL1
Lbq-657 SCHEMBL9565416 0.84 MME (1.00) MMEACEMMEL1
Lbq-657 SCHEMBL1908575 0.84 MME (1.00) MMEACEMMEL1
Lbq-657 SCHEMBL391633 0.84 MME (1.00) MMEACEMMEL1
SCHEMBL14890518 0.82 MME (1.00) MMEACEMMEL1
SCHEMBL12317228 0.82 MME (0.64) MMEACEMMEL1

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
EP-0555175-A1 Biaryl substituted 4-amino-butyric acid amides CIBA-GEIGY AG (CH) 1993-08-11 EP claimed
EP-0555175-A1 Biaryl substituted 4-amino-butyric acid amides CIBA-GEIGY AG (CH) 1993-08-11 EP disclosed