SCHEMBL7324973

SCHEMBL7324973

CCOC(=O)CC(c1ccccc1)N1CC(=O)N(c2ccccc2)c2ccc(C#CCCCC#N)cc2C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.35
ITGA2B P08514 3/20 0.35
HDAC1 Q13547 5/20 0.34
HDAC6 Q9UBN7 4/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GABRA1 P14867 3/20 0.33
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
GABRA5 P31644 3/20 0.33
GABRA3 P34903 3/20 0.33
GABRA2 P47869 3/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 1/20 0.33
GABRA6 Q16445 1/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 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
SCHEMBL7359849 0.92 ITGB3 (0.41) ITGB3ITGA2BHDAC1HDAC6KMT2A
SCHEMBL7325762 0.91 ITGB3 (0.44) ITGB3ITGA2BHDAC1HDAC6MEN1
SCHEMBL7333110 0.89 ITGB3 (0.37) ITGB3ITGA2BHDAC1HDAC6MEN1
SCHEMBL7332708 0.88 MAPT (0.38) ITGB3ITGA2BHDAC1HDAC6MEN1
SCHEMBL7334649 0.88 GABRA1 (0.38) ITGB3ITGA2BMEN1KMT2AGABRA1
SCHEMBL7326692 0.87 ADORA3 (0.36) ITGB3ITGA2BHDAC1HDAC6
SCHEMBL7327121 0.85 KMT2A (0.37) MEN1KMT2AMAPTTP53POLB
SCHEMBL7325626 0.84 KDM4E (0.44) ITGB3ITGA2BMEN1KMT2AGABRA1
SCHEMBL7333805 0.83 MDM2 (0.35) HDAC1HDAC6MAPTHDAC3HDAC4
SCHEMBL7329828 0.81 KMT2A (0.39) MEN1KMT2AMAPTTP53POLB

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 5 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
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