SCHEMBL9737476

SCHEMBL9737476

O=C(O)CC1CCCc2sc(Br)cc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.38
ITGA2B P08514 12/20 0.38
DGAT1 O75907 1/20 0.37
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE2A O00408 1/20 0.32
POLB P06746 1/20 0.32
TBXA2R P21731 1/20 0.32
PTGDR Q13258 1/20 0.32
PPARD Q03181 2/20 0.31
PPARA Q07869 2/20 0.31
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30

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
SCHEMBL9382468 0.92 ITGB3 (0.42) ITGB3ITGA2BDGAT1ADRA1DADRA1A
SCHEMBL9737986 0.84 ADRA1D (0.43) ITGB3ITGA2BDGAT1TP53L3MBTL1
SCHEMBL9737731 0.76 TP53 (0.41) ITGB3ITGA2BDGAT1TP53L3MBTL1
SCHEMBL7293806 0.76 ITGB3 (0.36) ITGB3ITGA2BDGAT1TP53L3MBTL1
SCHEMBL9382556 0.75 ADRA1D (0.49) ITGB3ITGA2BDGAT1PPARDADRA1D
SCHEMBL7289335 0.72 ITGB3 (0.33) ITGB3ITGA2BDGAT1
SCHEMBL467521 0.69 ACHE (0.55) DGAT1TP53L3MBTL1
SCHEMBL9385024 0.67 HTR2C (0.47) ITGB3ITGA2BDGAT1
SCHEMBL29405721 0.67 CYP19A1 (0.49) ITGB3ITGA2BDGAT1L3MBTL1
SCHEMBL18321998 0.67 CYP19A1 (0.49) ITGB3ITGA2BDGAT1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5153194-A Anxiolytic agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-10-06 US disclosed
EP-0394471-A1 THIENOCYCLOHEPTAPYRIDAZINE COMPOUNDS AND MEDICINAL USES THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-10-31 EP disclosed