SCHEMBL2916757

SCHEMBL2916757

COc1ccc2c(c1)C([N+](=O)[O-])CC(N1CCOCC1)CC2

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 11/20 0.43
MTNR1A P48039 5/20 0.41
SIGMAR1 Q99720 3/20 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
SCHEMBL2917635 0.76 HRH3 (0.49)
SCHEMBL2062784 0.69 HTT (0.41)
SCHEMBL2061657 0.69 HTT (0.41)
SCHEMBL2479144 0.68 DRD1 (0.35)
SCHEMBL2060771 0.68 HTT (0.46)
SCHEMBL2915586 0.68 DRD1 (0.35)
SCHEMBL2915008 0.67 SIGMAR1 (0.42) SIGMAR1
SCHEMBL2060974 0.67 ALDH1A1 (0.47)
SCHEMBL3007732 0.66 IDO1 (0.41)
SCHEMBL20061133 0.66 HTT (0.43)

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
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
EP-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 EP disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO disclosed