SCHEMBL8837019

SCHEMBL8837019

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.36
RAB9A P51151 2/20 0.34
HPGD P15428 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
POLR1A O95602 1/20 0.34
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PIN1 Q13526 1/20 0.33

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
SCHEMBL8842886 0.90 CASP1 (0.36) RAB9AALDH1A1MEN1KMT2APOLR1A
SCHEMBL7564581 0.89 TACR3 (0.48) TACR3MEN1KMT2AUTS2R
SCHEMBL7329795 0.89 TACR3 (0.48) TACR3MEN1KMT2AUTS2R
SCHEMBL8842974 0.81 CYP26A1 (0.46) TACR3KMT2AUTS2R
SCHEMBL7333801 0.77 GAA (0.39) ALDH1A1NR1H4MTNR1AMTNR1BGAA
SCHEMBL7329352 0.74 ALDH1A1 (0.38) TACR3HPGDALDH1A1MEN1KMT2A
SCHEMBL7321127 0.73 ALDH1A1 (0.36) TACR3HPGDALDH1A1MEN1KMT2A
SCHEMBL7318985 0.73 TACR3 (0.38) TACR3SMN1; SMN2
SCHEMBL21359274 0.68 SLC6A3 (0.45) HPGDALDH1A1RECQLMEN1KMT2A
SCHEMBL7332298 0.67 ALDH1A1 (0.38) HPGDALDH1A1HTTMEN1KMT2A

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 7 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
US-5250679-A Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor GENENTECH, INC. (US) 1993-10-05 US disclosed