SCHEMBL5835366

SCHEMBL5835366

CC(C(=O)O)C1CCn2c1c(Sc1nc3ccccc3s1)c1c(Br)cc(F)cc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 13/20 0.44
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE2A O00408 2/20 0.36
PTGDR Q13258 2/20 0.36
PPARA Q07869 2/20 0.36

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
SCHEMBL5777739 0.85 TBXA2R (0.62) TBXA2RPDE2APTGDR
SCHEMBL5835835 0.79 TBXA2R (0.60) TBXA2RPDE2APTGDR
SCHEMBL5836698 0.76 TBXA2R (0.57) TBXA2RPDE2APTGDR
SCHEMBL5834967 0.74 TBXA2R (0.38) TBXA2R
SCHEMBL5834981 0.67 TBXA2R (0.56) TBXA2RPTGDR
SCHEMBL5835634 0.67 TBXA2R (0.56) TBXA2RPTGDR
SCHEMBL5835468 0.64 TBXA2R (0.35) TBXA2R
SCHEMBL5473758 0.63 PTGDR2 (0.66) PTGDR
SCHEMBL718296 0.62 PPARA (0.67) LMNAALDH1A1HPGDPPARA
SCHEMBL5778603 0.61 TBXA2R (0.51) TBXA2RPDE2APTGDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144913-B2 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA & CO. (CA) 2006-12-05 US disclosed