SCHEMBL7397648

SCHEMBL7397648

N=C(N)NCCCCCCCNC(=O)NN[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.45
▸ EPHX2 P34913 3/20 0.44
▸ MME P08473 2/20 0.44
▸ CHRNA1 P02708 1/20 0.42
▸ CHRNG P07510 1/20 0.42
▸ CHRNB1 P11230 1/20 0.42
▸ CHRND Q07001 1/20 0.42
▸ NAALAD2 Q9Y3Q0 1/20 0.41
▸ FOLH1 Q04609 2/20 0.41
▸ NPY1R P25929 1/20 0.41
▸ NPY2R P49146 1/20 0.41
▸ NPY4R P50391 1/20 0.41
▸ NPY5R Q15761 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ENPEP Q07075 1/20 0.41

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
SCHEMBL7398177 1.00 LMNA (0.45) LMNAEPHX2MMECHRNA1CHRNG
SCHEMBL7399452 0.91 TSHR (0.50) NPY1RNPY4RKMT2A
SCHEMBL7321414 0.85 EPHX2 (0.54) EPHX2NPY1RNPY2RNPY4RNPY5R
SCHEMBL7402598 0.84 MMP1 (0.52) EPHX2KMT2A
SCHEMBL30291915 0.82 NPY4R (0.54) MMENPY1RNPY2RNPY4RNPY5R
SCHEMBL30798296 0.82 NPY4R (0.54) MMENPY1RNPY2RNPY4RNPY5R
SCHEMBL7440667 0.80 NPY4R (0.58) EPHX2FOLH1NPY1RNPY2RNPY4R
SCHEMBL29533534 0.80 NPY4R (0.54) NPY1RNPY2RNPY4RNPY5R
SCHEMBL29628189 0.78 NPY4R (0.54) MMENPY1RNPY2RNPY4RNPY5R
SCHEMBL7416760 0.78 ITGB3 (0.56) LMNAFOLH1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5614539-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1997-03-25 — — US claimed
WO-1994021602-A1 UREA DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-09-29 — — WO claimed
US-5614539-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1997-03-25 — — US disclosed
WO-1994021602-A1 UREA DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-09-29 — — WO disclosed
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