SCHEMBL7899532

SCHEMBL7899532

CN1CC(S(=O)(=O)N[C@H]2Cc3ccc(Cc4cc(CO)cc(C(F)(F)F)c4)cc3C2)C(C(F)(F)F)=N1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 17/20 0.44
APOB P04114 1/20 0.34
MTTP P55157 1/20 0.34
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
TBXA2R P21731 1/20 0.32

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
SCHEMBL7897498 0.84 GRIA2 (0.46) GRIA2
SCHEMBL11898524 0.81 GRIA2 (0.56) GRIA2APOBMTTP
SCHEMBL7896649 0.81 GRIA2 (0.56) GRIA2APOBMTTP
SCHEMBL11899839 0.79 GRIA2 (0.56) GRIA2APOBMTTPTBXA2R
SCHEMBL7898941 0.79 GRIA2 (0.56) GRIA2APOBMTTPTBXA2R
SCHEMBL7898914 0.79 GRIA2 (0.58) GRIA2APOBMTTP
SCHEMBL586031 0.79 GRIA2 (0.63) GRIA2
SCHEMBL586032 0.79 GRIA2 (0.63) GRIA2
SCHEMBL11898570 0.77 GRIA2 (0.50) GRIA2
SCHEMBL11898571 0.77 GRIA2 (0.50) GRIA2

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
WO-2010115952-A1 INDANE DERIVATIVES N.V. ORGANON (NL) 2010-10-14 WO disclosed