SCHEMBL7334474

SCHEMBL7334474

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

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.33
CCKBR P32239 4/20 0.31
CCKAR P32238 3/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RIPK1 Q13546 2/20 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
SCHEMBL7322552 0.93 MEN1 (0.31) MEN1ALDH1A1LMNAGLAPOLB
SCHEMBL7323240 0.93 SCN9A (0.32) SCN9ACCKBRCCKARMEN1ALDH1A1
SCHEMBL7332528 0.93 MEN1 (0.30) MEN1ALDH1A1LMNAGLAPOLB
SCHEMBL7320163 0.92 MDM2 (0.32) MEN1ALDH1A1LMNAGLAPOLB
SCHEMBL8842764 0.91 SCN9A (0.33) SCN9ACCKBRCCKARMEN1ALDH1A1
SCHEMBL7326023 0.87 HDAC1 (0.31) SCN9ARIPK1
SCHEMBL7329748 0.87
SCHEMBL8842898 0.87 SCN9A (0.32) SCN9ACCKBRCCKARMEN1ALDH1A1
SCHEMBL7329444 0.86
SCHEMBL7324299 0.85 MDM2 (0.32) 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