SCHEMBL7323240

SCHEMBL7323240

CCOC(=O)CC(c1ccccc1)N1C(=O)c2cc(CCCOc3cc(C)nc(NC(=O)OC(C)(C)C)n3)ccc2N(C)C(=O)C1c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.32
ITGB3 P05106 2/20 0.31
ITGA2B P08514 2/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
CCKBR P32239 2/20 0.31
CCKAR P32238 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MDM2 Q00987 1/20 0.30
CASR P41180 1/20 0.30

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
SCHEMBL7329444 0.93
SCHEMBL7329748 0.93
SCHEMBL7334474 0.93 SCN9A (0.33) SCN9ACCKBRCCKARMEN1ALDH1A1
SCHEMBL7324299 0.92 MDM2 (0.32) MEN1ALDH1A1LMNAGLAPOLB
SCHEMBL8842898 0.92 SCN9A (0.32) SCN9ACCKBRCCKARMEN1ALDH1A1
SCHEMBL8842944 0.87 SCN9A (0.32) SCN9AMDM2
SCHEMBL8842764 0.87 SCN9A (0.33) SCN9ACCKBRCCKARMEN1ALDH1A1
SCHEMBL7322552 0.86 MEN1 (0.31) MEN1ALDH1A1LMNAGLAPOLB
SCHEMBL7324997 0.86 CASR (0.32) MEN1ALDH1A1LMNAGLAPOLB
SCHEMBL7332528 0.85 MEN1 (0.30) MEN1ALDH1A1LMNAGLAPOLB

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
US-5565449-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1996-10-15 US disclosed
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed
US-5403836-A Anticoagulants GENENTECH, INC. (US) 1995-04-04 US disclosed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
US-5250679-A Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor GENENTECH, INC. (US) 1993-10-05 US disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed