SCHEMBL7284497

SCHEMBL7284497

CCC/C(=C/[C@H](O)[C@@H](N)CC(C)C)C(=O)NCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.39
DNPEP Q9ULA0 2/20 0.39
MAPT P10636 2/20 0.35
EPHX1 P07099 1/20 0.35
PSMB5 P28074 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
RNPEP Q9H4A4 2/20 0.31
KISS1R Q969F8 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL7278906 1.00 ANPEP (0.39) ANPEPDNPEPMAPTEPHX1PSMB5
SCHEMBL7288179 0.89 ANPEP (0.41) ANPEPDNPEPMAPTEPHX1PSMB5
SCHEMBL7279294 0.89 ANPEP (0.41) ANPEPDNPEPMAPTEPHX1PSMB5
SCHEMBL7317760 0.86 ANPEP (0.38) ANPEPDNPEPMAPTCYP2D6CYP2C19
SCHEMBL7285114 0.81 GRIK1 (0.37) ANPEPDNPEPPSMB5
SCHEMBL7285895 0.78 ANPEP (0.42) ANPEPDNPEPMAPTCYP2D6CYP2C19
SCHEMBL7278660 0.78 ANPEP (0.42) ANPEPDNPEPMAPTCYP2D6CYP2C19
SCHEMBL7288644 0.74 MEN1 (0.32) MEN1KMT2A
SCHEMBL7287058 0.69 ANPEP (0.44) ANPEPDNPEPMAPTCYP2D6CYP2C19
SCHEMBL7294441 0.69 ANPEP (0.44) ANPEPDNPEPMAPTCYP2D6CYP2C19

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
EP-0272583-B1 5-SUBSTITUTED AMINO-4-HYDROXY-PENTENOIC ACID DERIVATIVES AND THEIR USE Banyu Pharmaceutical Co., Ltd. (JP) 1993-09-15 EP disclosed
US-4927565-A HYPOTENSIVE AGENT BANYU PHARMACEUTICAL CO., LTD. (JP) 1990-05-22 US disclosed
EP-0272583-A2 5-Substituted amino-4-hydroxy-pentenoic acid derivatives and their use Banyu Pharmaceutical Co., Ltd. (JP) 1988-06-29 EP disclosed