SCHEMBL9955952

SCHEMBL9955952

CC1(C)CC(=O)c2cnc(Nc3cccc(F)c3)nc2C1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.76
MAOB P27338 3/20 0.76
GRM5 P41594 8/20 0.68
ALDH1A1 P00352 9/20 0.67
RAB9A P51151 4/20 0.67
NPC1 O15118 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
KDM4E B2RXH2 1/20 0.67
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA4 P22748 1/20 0.61
CA9 Q16790 1/20 0.61
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
USP2 O75604 1/20 0.51
HPGD P15428 1/20 0.50
NLRP3 Q96P20 1/20 0.50

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
SCHEMBL10025790 0.87 ALDH1A1 (0.80) MAOAMAOBGRM5ALDH1A1RAB9A
SCHEMBL10025785 0.87 MAOA (1.00) MAOAMAOBGRM5ALDH1A1RAB9A
SCHEMBL23657014 0.81 GRM5 (0.95) MAOAMAOBGRM5ALDH1A1RAB9A
SCHEMBL9955702 0.81 GRM5 (1.00) MAOAMAOBGRM5ALDH1A1RAB9A
SCHEMBL9955883 0.81 RAB9A (0.78) MAOBGRM5ALDH1A1RAB9ANPC1
SCHEMBL9955400 0.80 GRM5 (1.00) MAOAMAOBGRM5ALDH1A1RAB9A
SCHEMBL9957176 0.77 MAOA (0.80) MAOAMAOBGRM5ALDH1A1RAB9A
SCHEMBL9955038 0.77 GRM5 (1.00) MAOAMAOBGRM5ALDH1A1RAB9A
SCHEMBL10025786 0.75 ALDH1A1 (0.62) MAOAMAOBGRM5ALDH1A1RAB9A
SCHEMBL10025789 0.72 MAOA (0.70) MAOAMAOBGRM5ALDH1A1RAB9A

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-2012085166-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-06-28 WO disclosed