SCHEMBL3376883

SCHEMBL3376883

COC(=O)C1=C(C)NC(COCCN)=C(C(=O)OS(=O)(=O)c2ccccc2)C1c1ccccc1Cl

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.77
NR1I2 O75469 3/20 0.77
ABCB11 O95342 4/20 0.75
TBXA2R P21731 3/20 0.75
ADRA1A P35348 3/20 0.75
SLC6A3 Q01959 3/20 0.75
DRD1 P21728 3/20 0.75
OPRM1 P35372 3/20 0.75
KCNH2 Q12809 3/20 0.75
ADORA3 P0DMS8 3/20 0.75
SCN5A Q14524 3/20 0.75
HTR1A P08908 2/20 0.75
ADRA2A P08913 2/20 0.75
CHRM1 P11229 2/20 0.75
SLC6A2 P23975 2/20 0.75
DRD3 P35462 2/20 0.75
ABCB1 P08183 2/20 0.75
ADRB3 P13945 2/20 0.75
OPRK1 P41145 2/20 0.75
KCNK2 O95069 2/20 0.75

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
SCHEMBL3680918 0.93 CYP3A4 (0.66) CYP3A4NR1I2ABCB11TBXA2RADRA1A
SCHEMBL2846050 0.93 CYP3A4 (0.66) CYP3A4NR1I2ABCB11TBXA2RADRA1A
SCHEMBL30958564 0.91 ABCB11 (0.90) CYP3A4NR1I2ABCB11TBXA2RADRA1A
SCHEMBL5477290 0.91 ABCB11 (0.90) CYP3A4NR1I2ABCB11TBXA2RADRA1A
SCHEMBL30471867 0.88 ABCB11 (0.82) CYP3A4NR1I2ABCB11TBXA2RADRA1A
SCHEMBL5477299 0.88 ABCB11 (0.82) CYP3A4NR1I2ABCB11TBXA2RADRA1A
Benzene SCHEMBL3268864 0.88 ABCB11 (0.82) CYP3A4NR1I2ABCB11TBXA2RADRA1A
SCHEMBL3183503 0.88 ABCB11 (0.82) CYP3A4NR1I2ABCB11TBXA2RADRA1A
SCHEMBL3181827 0.88 CYP3A4 (0.85) CYP3A4NR1I2ABCB11TBXA2RADRA1A
Amlodipine SCHEMBL6650712 0.87 TBXA2R (0.98) CYP3A4NR1I2ABCB11TBXA2RADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9314454-B2 Oral cavity disintegrating tablet and method of producing the same SAWAI PHARMACEUTICAL CO., LTD. (JP) 2016-04-19 US disclosed
EP-2233129-B1 ORAL CAVITY DISINTEGRATING TABLET AND METHOD OF PRODUCING THE SAME SAWAI SEIYAKU KK (JP) 2014-05-07 EP disclosed
US-20100278930-A1 ORAL CAVITY DISINTEGRATING TABLET AND METHOD OF PRODUCING THE SAME SAWAI PHARMACEUTICAL CO., LTD. (JP) 2010-11-04 US disclosed
EP-2233129-A1 ORAL CAVITY DISINTEGRATING TABLET AND METHOD OF PRODUCING THE SAME Sawai Pharmaceutical Co., Ltd. (JP) 2010-09-29 EP disclosed