SCHEMBL1389004

SCHEMBL1389004

COc1ccc(CN(C(=O)C(c2ccccc2)c2ccccc2)[C@H](Cc2cccc(C(=N)N)c2)C(N)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.44
PRSS1 P07477 4/20 0.44
F2 P00734 4/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
NR1H3 Q13133 2/20 0.43
EPHX1 P07099 1/20 0.43
MEP1B Q16820 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEP1A Q16819 1/20 0.41
ACHE P22303 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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 SCHEMBL8121834 0.99 F10 (0.43) F10PRSS1F2PRSS2PRSS3
SCHEMBL8525704 0.90 F10 (0.44) F10PRSS1F2PRSS2PRSS3
Hydrochloric Acid SCHEMBL8119799 0.90 EPHX1 (0.45) PRSS1PRSS2PRSS3NR1H3EPHX1
SCHEMBL6900983 0.89 PRSS1 (0.41) F10PRSS1F2PRSS2PRSS3
SCHEMBL8119473 0.89 NR1H3 (0.46) NR1H3EPHX1TDP1ACHEMEN1
SCHEMBL7058207 0.89 PRSS1 (0.41) F10PRSS1F2PRSS2PRSS3
SCHEMBL1389096 0.88 F10 (0.43) F10PRSS1F2PRSS2PRSS3
Hydrochloric Acid SCHEMBL8122656 0.88 PRSS1 (0.40) F10PRSS1F2PRSS2PRSS3
SCHEMBL8526150 0.88 PLAU (0.41) F10PRSS1F2PRSS2PRSS3
Hydrochloric Acid SCHEMBL8121985 0.86 NR1H3 (0.41) NR1H3EPHX1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 EP claimed
JP-H08505862-A 1996-06-25 JP claimed
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 EP claimed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 WO claimed
EP-1093803-A2 Cosmetic composition comprising antagonist of the neuropeptide Y receptor SANOFI-SYNTHELABO (FR) 2001-04-25 EP disclosed
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 EP disclosed