SCHEMBL4452687

SCHEMBL4452687

CC(C)c1nc(Br)nc(-c2ccc(F)cc2)c1CBr

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GCGR P47871 20/20 0.46

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
SCHEMBL16429686 0.85 GCGR (0.49) GCGR
SCHEMBL4455298 0.84 GCGR (0.48) GCGR
SCHEMBL12946050 0.81 GCGR (0.43) GCGR
SCHEMBL944388 0.81 GCGR (0.43) GCGR
SCHEMBL7921907 0.81 ADORA1 (0.46) GCGR
SCHEMBL10129495 0.81 GCGR (0.43) GCGR
SCHEMBL14392708 0.79 GCGR (0.40) GCGR
SCHEMBL246597 0.75 HMGCR (0.55) GCGR
SCHEMBL3264910 0.75 GCGR (0.41) GCGR
SCHEMBL16429674 0.75 GCGR (0.41) GCGR

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-2009157014-A2 A PROCESS FOR PREPARING HMG-COA REDUCTASE INHIBITORS AND INTERMEDIATES CADILA HEALTHCARE LIMITED (IN) 2009-12-30 WO claimed
WO-2009157014-A2 A PROCESS FOR PREPARING HMG-COA REDUCTASE INHIBITORS AND INTERMEDIATES CADILA HEALTHCARE LIMITED (IN) 2009-12-30 WO disclosed
WO-2009157014-A2 A PROCESS FOR PREPARING HMG-COA REDUCTASE INHIBITORS AND INTERMEDIATES CADILA HEALTHCARE LIMITED (IN) 2009-12-30 WO disclosed