SCHEMBL7104093

SCHEMBL7104093

CCS(=O)(=O)N=C(N)c1ccc(CN2CC(C3CCCCC3)C[C@H]2C(=O)NC(=O)[C@H](C)N)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.34
PTGER4 P35408 1/20 0.34
F2 P00734 9/20 0.33
MC3R P41968 1/20 0.31
MC1R Q01726 1/20 0.31
CYP3A4 P08684 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
ACE P12821 1/20 0.31
KMT2A Q03164 1/20 0.31
PRSS1 P07477 1/20 0.31

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 SCHEMBL7144181 0.99 NPSR1 (0.34) NPSR1PTGER4F2MC3RMC1R
SCHEMBL7465555 0.88 MC3R (0.31) NPSR1MC3RMC1RCYP3A4
Hydrochloric Acid SCHEMBL7156752 0.87 MC3R (0.31) NPSR1MC3RMC1R
SCHEMBL7139402 0.86 PTGER4 (0.36) PTGER4F2MC3RMC1RMEN1
SCHEMBL7144656 0.85 F2 (0.45) PTGER4F2PRSS1
Hydrochloric Acid SCHEMBL7148146 0.84 F2 (0.46) PTGER4F2PRSS1
SCHEMBL7361838 0.84 PTGER4 (0.35) PTGER4F2MC3RMC1RCYP3A4
Hydrochloric Acid SCHEMBL7142554 0.84 PTGER4 (0.35) PTGER4F2MC3RMC1RCYP3A4
SCHEMBL7101287 0.83 MC3R (0.35) PTGER4F2MC3RMC1RPRSS1
SCHEMBL7104014 0.83 OPRM1 (0.37) PTGER4F2CYP3A4MEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1361212-A1 Peptide derivatives as antithrombotic agents AstraZeneca AB (SE) 2003-11-12 EP claimed
EP-0672658-B1 Antithrombotic agents ASTRAZENECA AB (SE) 2003-09-17 EP claimed
EP-0672658-A1 Antithrombotic agents ELI LILLY AND COMPANY (US) 1995-09-20 EP claimed
WO-1995023609-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1995-09-08 WO claimed
WO-1995023609-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1995-09-08 WO disclosed