SCHEMBL9565402

SCHEMBL9565402

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

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MME P08473 9/20 0.64
MMEL1 Q495T6 1/20 0.52
ACE P12821 7/20 0.52
FFAR1 O14842 1/20 0.50

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
SCHEMBL18591 1.00 MME (0.64) MMEMMEL1ACEFFAR1
SCHEMBL17580886 0.87 MME (0.53) MMEMMEL1ACE
SCHEMBL28578516 0.80 MME (0.65) MMEMMEL1ACE
SCHEMBL18555598 0.79 FFAR1 (0.57) MMEMMEL1ACEFFAR1
SCHEMBL9565421 0.78 MME (1.00) MMEMMEL1ACE
SCHEMBL7438041 0.77 MME (0.59) MMEMMEL1ACE
SCHEMBL29007017 0.77 MME (0.65) MMEMMEL1ACE
SCHEMBL10710074 0.74 CPA3 (0.67) MMEACEFFAR1
SCHEMBL1912584 0.72 MME (0.80) MMEMMEL1ACE
SCHEMBL2878301 0.72 MME (0.80) MMEMMEL1ACE

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