SCHEMBL3721670

SCHEMBL3721670

CCN(c1ccc(C(F)(F)F)cc1)c1nc2c(c(=O)n1N1CCOCC1)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRLHR P49683 15/20 0.51
MTOR P42345 3/20 0.43
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
PDE10A Q9Y233 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
SCHEMBL3721668 0.91 PRLHR (0.41) PRLHRPDE10A
SCHEMBL3717902 0.85 PRLHR (0.50) PRLHRPDE10A
SCHEMBL3717977 0.83 PRLHR (0.44) PRLHR
SCHEMBL3716358 0.82 PRLHR (0.54) PRLHR
SCHEMBL3716853 0.81 PRLHR (0.49) PRLHR
SCHEMBL3714275 0.81 PRLHR (0.48) PRLHR
SCHEMBL3713142 0.81 PRLHR (0.42) PRLHR
SCHEMBL3714329 0.81 PRLHR (0.55) PRLHR
SCHEMBL3721671 0.80 PRLHR (0.51) PRLHRMTOR
SCHEMBL434516 0.79 PRLHR (0.70) PRLHR

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-2010137738-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-12-02 WO disclosed