SCHEMBL14531580

SCHEMBL14531580

CNC(=N)NCCCC(NC(=O)C(N)Cc1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 6/20 0.47
▸ FNTB P49356 6/20 0.47
▸ PGGT1B P53609 6/20 0.47
▸ MME P08473 9/20 0.47
▸ ACE2 Q9BYF1 9/20 0.47
▸ ACE P12821 8/20 0.47
▸ CPA1 P15085 8/20 0.47
▸ GNPAT O15228 1/20 0.47
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CTSH P09668 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ CTSC P53634 1/20 0.44
▸ KISS1R Q969F8 1/20 0.43

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
SCHEMBL14509077 0.90 FNTA (0.49) FNTAFNTBPGGT1BMMEACE2
SCHEMBL14531425 0.90 FOLH1 (0.49) MMEACE2ACECPA1GNPAT
SCHEMBL14509078 0.84 NPY4R (0.47) MMEACE2ACECPA1CYP1A2
SCHEMBL14509165 0.83 NPY4R (0.51) CYP1A2CYP3A4CTSHCYP2D6CTSK
SCHEMBL14509063 0.83 NPY4R (0.55) CYP1A2CYP3A4CTSHCYP2D6CTSK
SCHEMBL14531426 0.83 NPY4R (0.52) KISS1R
SCHEMBL14534832 0.82 NPY4R (0.47) CYP1A2CYP3A4CTSHCYP2D6CTSK
SCHEMBL5966602 0.82 GNPAT (0.52) FNTAFNTBPGGT1BGNPATCTSC
SCHEMBL1711701 0.82 GNPAT (0.52) FNTAFNTBPGGT1BGNPATCTSC
SCHEMBL1711691 0.82 GNPAT (0.52) FNTAFNTBPGGT1BGNPATCTSC

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
WO-2007055873-A2 PROCESS FOR THE MANUFACTURE OF PEPTIDE FACILITATORS OF REVERSE CHOLESTEROL TRANSPORT AVANIR PHARMACEUTICALS (US) 2007-05-18 — — WO disclosed
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