SCHEMBL4281884

SCHEMBL4281884

CC(=O)OOc1ccc(F)c(CCCI)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MTNR1B P49286 3/20 0.34
MTNR1A P48039 2/20 0.34
FDFT1 P37268 2/20 0.34
MAOB P27338 2/20 0.33
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL4272639 0.87 CA2 (0.40) CHRM2CHRM1CHRM3MTNR1BMTNR1A
SCHEMBL4281886 0.87 CYP4F2 (0.41) CHRM2CHRM1CHRM3CYP4F2CYP4A11
SCHEMBL4276837 0.81 FDFT1 (0.35) CHRM2CHRM1CHRM3MTNR1BMTNR1A
SCHEMBL4274299 0.77 TDP1 (0.47)
SCHEMBL3179219 0.77 TDP1 (0.47)
SCHEMBL3174338 0.76 TSHR (0.48)
SCHEMBL4275709 0.75 CYP4F2 (0.48) MTNR1BMTNR1ACYP4F2CYP4A11
SCHEMBL4282042 0.74 MTNR1A (0.48) CHRM2CHRM1CHRM3MTNR1BMTNR1A
SCHEMBL4272644 0.74 CYP4F2 (0.45) CHRM2CHRM1CHRM3CYP4F2CYP4A11
SCHEMBL3178954 0.72 BRD4 (0.49) CYP4F2CYP4A11

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
EP-2094662-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS Astellas Pharma Inc. (JP) 2009-09-02 EP disclosed
WO-2008072784-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2008-06-19 WO disclosed