SCHEMBL3381369

SCHEMBL3381369

Cc1nc(-c2sc(-c3c(C)nc(-c4cccc(F)c4O)n(CCc4ccccc4)c3=O)cc2C)no1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CASR P41180 19/20 0.67
NR1I2 O75469 6/20 0.67

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
SCHEMBL3421572 0.90 CASR (0.73) CASRNR1I2
SCHEMBL3385433 0.89 CASR (0.69) CASRNR1I2
SCHEMBL3385607 0.89 CASR (0.78) CASRNR1I2
SCHEMBL3418565 0.86 CASR (0.66) CASRNR1I2
SCHEMBL3421011 0.86 CASR (0.67) CASRNR1I2
SCHEMBL3421660 0.85 CASR (0.71) CASRNR1I2
SCHEMBL4142534 0.85 CASR (0.78) CASRNR1I2
SCHEMBL3418280 0.85 CASR (0.68) CASRNR1I2
SCHEMBL3345060 0.85 CASR (0.81) CASRNR1I2
SCHEMBL3418007 0.84 CASR (0.84) CASRNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010065383-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-06-10 WO claimed
WO-2010065383-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-06-10 WO disclosed
WO-2010065383-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-06-10 WO disclosed