SCHEMBL7329266

SCHEMBL7329266

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.52
FNTB P49356 4/20 0.52
PGGT1B P53609 4/20 0.52
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ABCC3 O15438 1/20 0.48
NR1I2 O75469 1/20 0.48
ABCB11 O95342 1/20 0.48
NR3C1 P04150 1/20 0.48
RARG P13631 1/20 0.48
CNR1 P21554 1/20 0.48
OPRK1 P41145 1/20 0.48
NR1H2 P55055 1/20 0.48
PPARA Q07869 1/20 0.48
NR1H3 Q13133 1/20 0.48
NR1I3 Q14994 1/20 0.48
GNPAT O15228 1/20 0.47

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
SCHEMBL9069637 0.92 OPRK1 (0.52) FNTAFNTBPGGT1BCYP1A2CYP3A4
SCHEMBL11560458 0.87 CPB2 (0.41) FNTAFNTBPGGT1BGNPAT
SCHEMBL9621957 0.85 FNTA (0.52) FNTAFNTBPGGT1BGNPAT
SCHEMBL9621954 0.85 FNTA (0.52) FNTAFNTBPGGT1BGNPAT
SCHEMBL7319942 0.84 MME (0.61) FNTAFNTBPGGT1B
SCHEMBL9068962 0.84 MME (0.54) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1711701 0.83 GNPAT (0.52) FNTAFNTBPGGT1BGNPAT
SCHEMBL1711691 0.83 GNPAT (0.52) FNTAFNTBPGGT1BGNPAT
SCHEMBL29540393 0.83 GNPAT (0.52) FNTAFNTBPGGT1BGNPAT
SCHEMBL5966602 0.83 GNPAT (0.52) FNTAFNTBPGGT1BGNPAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4474795-A ANALGESICS, MERCAPTO-ALKANOYL AMINO ACIDS E. R. SQUIBB & SONS, INC. (US) 1984-10-02 US disclosed
US-4474799-A Enkephalinase inhibitors E. R. SQUIBB & SONS, INC. (US) 1984-10-02 US disclosed
US-4401677-A Enkephalinase inhibitors E. R. SQUIBB & SONS, INC. (US) 1983-08-30 US disclosed