SCHEMBL7163341

SCHEMBL7163341

CCc1n[c]cn1-c1ccc(C)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KCNH2 Q12809 2/20 0.34
PTGS2 P35354 2/20 0.33
LCK P06239 1/20 0.33
KIT P10721 1/20 0.33
SRC P12931 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
MCHR1 Q99705 1/20 0.32
TP53 P04637 4/20 0.31
FFAR4 Q5NUL3 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 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
SCHEMBL7254837 0.78 AR (0.41)
SCHEMBL7249466 0.70 ALDH1A1 (0.46) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL92865 0.65 NPC1 (0.54) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8267982 0.64 F10 (0.48) KCNH2
SCHEMBL7185408 0.64 ALKBH5 (0.39)
SCHEMBL8357431 0.62 KCNH2 (0.41) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8262170 0.61 CYP3A4 (0.45) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7712089 0.61 DAO (0.45) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9042460 0.60 MAPT (0.42) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13907450 0.60 MAPT (0.49) MAPTALDH1A1NPC1RAB9ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358165-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP disclosed
WO-2002060877-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-08-08 WO disclosed