SCHEMBL9683131

SCHEMBL9683131

CCOC(=O)CC(C)(C)Cc1nc2ccccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 17/20 0.76
DRD2 P14416 3/20 0.54
GALR3 O60755 1/20 0.51
NR2F2 P24468 1/20 0.51
RAB9A P51151 1/20 0.51
TSPO P30536 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
NOD2 Q9HC29 1/20 0.50

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
SCHEMBL9683313 0.93 TBXA2R (0.64) TBXA2R
SCHEMBL9681793 0.93 TBXA2R (0.67) TBXA2R
SCHEMBL9683508 0.91 TBXA2R (0.62) TBXA2RRAB9AALDH1A1
SCHEMBL9682437 0.91 TBXA2R (0.76) TBXA2RGALR3NR2F2RAB9A
SCHEMBL9681897 0.90 TBXA2R (0.78) TBXA2RTSPOKDM4EALDH1A1
SCHEMBL9683004 0.90 TBXA2R (0.64) TBXA2RDRD2GALR3NR2F2RAB9A
SCHEMBL9699144 0.90 TBXA2R (0.76) TBXA2R
SCHEMBL9683051 0.89 TBXA2R (0.78) TBXA2RDRD2GALR3NR2F2RAB9A
SCHEMBL9681443 0.88 TBXA2R (0.61) TBXA2R
SCHEMBL9682945 0.87 TBXA2R (0.62) TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5128359-A Benzimidazole and azabenzimidazole derivatives which are thromboxane receptor antagonists, their methods of preparation LABORATOIRES UPSA (FR) 1992-07-07 US disclosed
US-5124336-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1992-06-23 US disclosed
US-5021443-A Noval benzimidazole and azabenzimiazole derivatives which are thromboxane receptor antagonists, their methods of preparation and pharmaceutical compositions in which they are present LABORATOIRES UPSA (FR) 1991-06-04 US disclosed