SCHEMBL7404137

SCHEMBL7404137

COC(=O)[C@H](C)N(C(=O)[C@@H](N)CC(C)C)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 6/20 0.46
LARS1 Q9P2J5 2/20 0.43
ANPEP P15144 1/20 0.40
CTSB P07858 1/20 0.40
MEN1 O00255 1/20 0.39
PLA2G1B P04054 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
AAK1 Q2M2I8 2/20 0.39
LTA4H P09960 1/20 0.39
SLC1A5 Q15758 1/20 0.39
CTSK P43235 1/20 0.38

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
Hydrochloric Acid SCHEMBL8417536 0.99 GPR88 (0.45) GPR88LARS1ANPEPCTSBMEN1
SCHEMBL8645012 0.89 AAK1 (0.43) GPR88ANPEPCTSBMEN1KMT2A
Hydrochloric Acid SCHEMBL7400787 0.88 AAK1 (0.42) GPR88ANPEPCTSBMEN1KMT2A
SCHEMBL8639130 0.84 ANPEP (0.44) GPR88ANPEPCTSBMEN1PLA2G1B
Hydrochloric Acid SCHEMBL7398161 0.84 NOS3 (0.41) GPR88MEN1KMT2AAAK1LTA4H
SCHEMBL2163674 0.82 GPR88 (0.53) GPR88LARS1ANPEPCTSBAAK1
SCHEMBL8640058 0.81 CTSB (0.40) GPR88ANPEPCTSBMEN1PLA2G1B
SCHEMBL10533268 0.81 KCNA5 (0.42) MEN1PLA2G1BHTTKMT2ANPSR1
SCHEMBL23923952 0.80 KMT2A (0.42) MEN1PLA2G1BHTTKMT2ANPSR1
SCHEMBL421787 0.80 KMT2A (0.42) MEN1PLA2G1BHTTKMT2ANPSR1

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-0755405-A1 PHOSPHONYLDIPEPTIDES USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISEASES ZAMBON GROUP S.p.A. (IT) 1997-01-29 EP disclosed
WO-1995028417-A1 PHOSPHONYLDIPEPTIDES USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISEASES ZAMBON GROUP S.P.A. (IT) 1995-10-26 WO disclosed