SCHEMBL7361838

SCHEMBL7361838

C[C@H](N)C(=O)NC(=O)[C@@H]1CC(C2CCCCC2)CN1Cc1ccc(C(N)=NCCC(=O)O)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.35
F2 P00734 8/20 0.33
MC3R P41968 1/20 0.33
MC1R Q01726 1/20 0.33
F2R P25116 1/20 0.32
TPH1 P17752 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 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

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 SCHEMBL7142554 0.99 PTGER4 (0.35) PTGER4F2MC3RMC1RF2R
SCHEMBL7101287 0.95 MC3R (0.35) PTGER4F2MC3RMC1RF2R
Hydrochloric Acid SCHEMBL7141000 0.94 MC3R (0.34) PTGER4F2MC3RMC1RF2R
SCHEMBL7139402 0.92 PTGER4 (0.36) PTGER4F2MC3RMC1RTPH1
SCHEMBL7144656 0.84 F2 (0.45) PTGER4F2
SCHEMBL7104093 0.84 NPSR1 (0.34) PTGER4F2MC3RMC1RCYP3A4
Hydrochloric Acid SCHEMBL7148146 0.84 F2 (0.46) PTGER4F2
Hydrochloric Acid SCHEMBL7144181 0.84 NPSR1 (0.34) PTGER4F2MC3RMC1RCYP3A4
SCHEMBL7100961 0.83 XIAP (0.35) PTGER4F2CYP3A4MEN1USP2
SCHEMBL7101675 0.81 PTGER4 (0.35) PTGER4F2MEN1USP2LMNA

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-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