SCHEMBL5049564

SCHEMBL5049564

CCn1cc(-c2ccc(OC(C)C)cc2)nn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HSP90AA1 P07900 2/20 0.46
HSP90AB1 P08238 2/20 0.46
WDR5 P61964 1/20 0.45
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
S1PR1 P21453 2/20 0.43
PTGS2 P35354 1/20 0.43
NLRP3 Q96P20 1/20 0.43
CYP1A2 P05177 1/20 0.43
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
SNCA P37840 1/20 0.43
CD74 P04233 1/20 0.42
MIF P14174 1/20 0.42

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
SCHEMBL18925015 0.85 MEN1 (0.64) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL5049451 0.80 CYP19A1 (0.54) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL16264735 0.80 MEN1 (0.50) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL9137418 0.78 SRC (0.60) MEN1KMT2ANPC1RAB9APTGS2
SCHEMBL22434637 0.77 MEN1 (0.41) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL16264731 0.77 ALOX5 (0.56) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL22868155 0.77 HSP90AA1 (0.60) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL5053636 0.77 CYP19A1 (0.45) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL22868178 0.77 PTGS2 (0.52) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL16264704 0.77 CYP19A1 (0.62) MEN1KMT2ANPC1RAB9APTGS2

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-1921072-A1 1,2,3-Triazole derivatives as cannabinoid-receptor modulators Laboratorios del Dr. Esteve S.A. (ES) 2008-05-14 EP claimed
EP-1921072-A1 1,2,3-Triazole derivatives as cannabinoid-receptor modulators Laboratorios del Dr. Esteve S.A. (ES) 2008-05-14 EP disclosed