SCHEMBL7329795

SCHEMBL7329795

COC(=O)C[C@H](NC(=O)c1cc(I)ccc1N(C)c1ccc2ccccc2c1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 3/20 0.48
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
UTS2R Q9UKP6 8/20 0.39
NPC1 O15118 1/20 0.39
CYP26A1 O43174 1/20 0.38
DCAF1 Q9Y4B6 1/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
CTSA P10619 1/20 0.38
THRB P10828 1/20 0.37

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
SCHEMBL7564581 1.00 TACR3 (0.48) TACR3ROCK2ROCK1UTS2RNPC1
SCHEMBL8842974 0.92 CYP26A1 (0.46) TACR3UTS2RCYP26A1KMT2ATDP1
SCHEMBL8837019 0.89 TACR3 (0.36) TACR3UTS2RKMT2AMEN1
SCHEMBL8842886 0.83 CASP1 (0.36) NPC1KMT2AMEN1
SCHEMBL7333801 0.75 GAA (0.39)
SCHEMBL4824242 0.72 TACR3 (0.53) TACR3ROCK2ROCK1DCAF1KMT2A
SCHEMBL7335381 0.70 ALDH1A1 (0.49) TACR3NPC1CYP26A1DCAF1KMT2A
SCHEMBL7332776 0.69 ALDH1A1 (0.44) TACR3ROCK2NPC1CYP26A1KMT2A
SCHEMBL27781112 0.69 MEN1 (0.63) TACR3ROCK2ROCK1UTS2RKMT2A
SCHEMBL12226572 0.69 MEN1 (0.63) TACR3ROCK2ROCK1UTS2RKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5674863-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5674865-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5663166-A ANTICOAGULANTS OF 1,4-BENZODIAZEPINE-2,5-DIONE AND 2-BENZOAZEPINE-1,4-DIONE DERIVATIVES; PREVENTS FIBRINOGEN BINDING NECESSARY FOR PLATELET AGGREGATION; SIDE EFFECT REDUCTION, E.G. EXCESSIVE BLEEDING GENENTECH, INC. (US) 1997-09-02 US disclosed
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