SCHEMBL7101287

SCHEMBL7101287

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MC3R P41968 2/20 0.35
MC1R Q01726 1/20 0.35
PTGER4 P35408 1/20 0.34
F2R P25116 1/20 0.34
F2 P00734 4/20 0.33
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
NMUR2 Q9GZQ4 1/20 0.31
NMUR1 Q9HB89 1/20 0.31
NPFFR2 Q9Y5X5 1/20 0.31
TPH1 P17752 1/20 0.31
MC4R P32245 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 SCHEMBL7141000 0.99 MC3R (0.34) MC3RMC1RPTGER4F2RF2
SCHEMBL7361838 0.95 PTGER4 (0.35) MC3RMC1RPTGER4F2RF2
Hydrochloric Acid SCHEMBL7142554 0.94 PTGER4 (0.35) MC3RMC1RPTGER4F2RF2
SCHEMBL7139402 0.90 PTGER4 (0.36) MC3RMC1RPTGER4F2TPH1
SCHEMBL7144656 0.83 F2 (0.45) PTGER4F2PRSS1PRSS2PRSS3
SCHEMBL7104093 0.83 NPSR1 (0.34) MC3RMC1RPTGER4F2PRSS1
Hydrochloric Acid SCHEMBL7148146 0.82 F2 (0.46) PTGER4F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7144181 0.82 NPSR1 (0.34) MC3RMC1RPTGER4F2
SCHEMBL7100961 0.81 XIAP (0.35) PTGER4F2
SCHEMBL7101675 0.80 PTGER4 (0.35) PTGER4F2

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-0672658-B1 Antithrombotic agents ASTRAZENECA AB (SE) 2003-09-17 EP claimed
WO-1995023609-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1995-09-08 WO disclosed