SCHEMBL7314181

SCHEMBL7314181

COC(=O)NC(=N)c1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)OC(C)OC(=O)OC4CCCCC4)C(=O)N3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
HRH3 Q9Y5N1 3/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MLNR O43193 1/20 0.31
NR1I2 O75469 1/20 0.31
USP2 O75604 1/20 0.31
ESR1 P03372 1/20 0.31
NR3C1 P04150 1/20 0.31
TP53 P04637 1/20 0.31
PGR P06401 1/20 0.31
ADRB2 P07550 1/20 0.31
CHRM2 P08172 1/20 0.31
ADRB1 P08588 1/20 0.31
CYP3A4 P08684 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
GABRA1 P14867 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
SCHEMBL7313815 0.91 ITGB3 (0.45) ITGB3ITGA2BKDM4EMEN1MLNR
SCHEMBL7306502 0.91 ITGB3 (0.45) ITGB3ITGA2BKDM4EMEN1MLNR
SCHEMBL7310784 0.91 ITGB3 (0.54) ITGB3ITGA2BHRH3LTA4H
SCHEMBL7310413 0.91 ITGB3 (0.54) ITGB3ITGA2BHRH3LTA4H
SCHEMBL7314678 0.91 ITGB3 (0.54) ITGB3ITGA2BHRH3LTA4H
SCHEMBL7312515 0.90 ITGB3 (0.62) ITGB3ITGA2BKDM4EMEN1MLNR
SCHEMBL7308669 0.90 ITGB3 (0.55) ITGB3ITGA2BHRH3LTA4H
Hydrochloric Acid SCHEMBL7314036 0.89 ITGB3 (0.61) ITGB3ITGA2BKDM4EMEN1MLNR
SCHEMBL7312948 0.88 ITGB3 (0.51) ITGB3ITGA2BHRH3KDM4EKMT2A
SCHEMBL7284983 0.86 ITGB3 (0.58) ITGB3ITGA2BHRH3KMT2A

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-0567966-B1 Cyclic imino derivatives, medicaments containing these compounds and processes for the production thereof BOEHRINGER INGELHEIM PHARMA (DE) 1998-09-02 EP disclosed
US-5576444-A ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1996-11-19 US disclosed
EP-0567966-A1 Cyclic imino derivatives, medicaments containing these compounds and processes for the production thereof Dr. Karl Thomae GmbH (DE) 1993-11-03 EP disclosed