SCHEMBL6955306

SCHEMBL6955306

CC[C@@H]1CC1(O)c1ccc(-c2nc(-c3ccc(F)cc3)oc2Br)nn1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
UTRN P46939 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL1001327 0.71 FAAH (0.44) TP53MAPTNPC1RAB9A
SCHEMBL1002617 0.69 USP1 (0.42) TP53MAPTNPC1RAB9A
SCHEMBL1002859 0.63 FFAR4 (0.33) NPC1RAB9A
SCHEMBL14840880 0.62 TGFBR1 (0.45) TP53MAPTNPC1RAB9A
SCHEMBL14849633 0.61 MAPK14 (0.58)
SCHEMBL14840519 0.60 PRCP (0.46) TP53NPC1RAB9A
SCHEMBL1002033 0.59 PTGS2 (0.58) TP53MAPT
SCHEMBL7944018 0.59 MAPK13 (0.52) TP53MAPTNPC1RAB9A
SCHEMBL1000153 0.58 FAAH (0.60) TP53MAPTNPC1RAB9A
SCHEMBL1002400 0.58 TP53 (0.46) TP53MAPTNPC1RAB9A

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-2011094209-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATONS MERCK SHARP & DOHME CORP. (US) 2011-08-04 WO disclosed