SCHEMBL5835580

SCHEMBL5835580

CC(C(=O)O)C1CCCn2c1cc1c(Br)cc(F)cc12

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.32
TBXA2R P21731 1/20 0.32
PER2 O15055 3/20 0.31
CRY2 Q49AN0 2/20 0.31

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
SCHEMBL5835468 0.93 TBXA2R (0.35) TBXA2R
SCHEMBL5775915 0.80 TBXA2R (0.45) TBXA2R
SCHEMBL5779059 0.79 GRM2 (0.33)
SCHEMBL5836332 0.79 TBXA2R (0.39) TBXA2R
SCHEMBL5835920 0.79 TBXA2R (0.39) TBXA2R
SCHEMBL5836476 0.78 RHEB (0.31)
SCHEMBL5772752 0.76 TBXA2R (0.42) TBXA2R
SCHEMBL5778018 0.75 TBXA2R (0.51) TBXA2R
SCHEMBL5776742 0.75 TBXA2R (0.51) TBXA2R
SCHEMBL5778328 0.70 TBXA2R (0.46) 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 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