SCHEMBL541978

SCHEMBL541978

CCn1cc(-c2cccc(F)c2)c2cc(CNC(C)c3ccccc3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASR P41180 10/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
PPARG P37231 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ICMT O60725 1/20 0.37
PTGES O14684 1/20 0.37

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
SCHEMBL541529 1.00 CASR (0.43) CASRSMN1; SMN2GSK3AGSK3BPPARG
SCHEMBL541461 0.91 CASR (0.47) CASRSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL541235 0.91 CASR (0.47) CASRSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL542073 0.88 CASR (0.49) CASRSMN1; SMN2PPARG
SCHEMBL3946612 0.88 CASR (0.49) CASRSMN1; SMN2PPARG
SCHEMBL541466 0.88 CASR (0.42) CASRSMN1; SMN2PPARGKMT2AMEN1
SCHEMBL541231 0.88 CASR (0.42) CASRSMN1; SMN2PPARGKMT2AMEN1
SCHEMBL541302 0.87 CASR (0.40) CASRGSK3AGSK3BPPARGICMT
SCHEMBL541702 0.87 CASR (0.40) CASRGSK3AGSK3BPPARGICMT
SCHEMBL541318 0.86 CASR (0.53) CASRSMN1; SMN2PPARG

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
EP-1509518-B1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC (US) 2012-02-08 EP claimed