SCHEMBL5796763

SCHEMBL5796763

CCOC(=O)Oc1ccccc1-c1nc(C)c(C(C)C)c(=O)n1CCc1cccc(F)c1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASR P41180 17/20 0.70
NR1I2 O75469 4/20 0.41
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL5799685 0.88 CASR (0.59) CASRNR1I2LMNAGLATAAR1
SCHEMBL3382473 0.87 CASR (0.76) CASRNR1I2TAAR1
SCHEMBL5796090 0.84 CASR (0.73) CASRNR1I2
SCHEMBL5822471 0.84 CASR (0.73) CASRNR1I2
SCHEMBL5799432 0.84 CASR (0.67) CASRNR1I2
SCHEMBL5823507 0.84 CASR (0.71) CASRNR1I2
SCHEMBL5823509 0.84 CASR (0.71) CASRNR1I2
SCHEMBL5798839 0.84 CASR (0.71) CASRNR1I2
SCHEMBL5798841 0.84 CASR (0.71) CASRNR1I2
SCHEMBL3382240 0.83 CASR (1.00) CASR

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-2006066070-A2 PRODRUG CONSTRUCTS OF PYRIMIDINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2006-06-22 WO claimed