SCHEMBL9960032

SCHEMBL9960032

Clc1cccc(Nc2ncc3c(n2)CCCC3)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 1.00
MAOB P27338 2/20 1.00
CDK5 Q00535 9/20 0.72
CDK5R1 Q15078 9/20 0.72
CCNA2 P20248 7/20 0.72
CDK2 P24941 7/20 0.72
CDK1 P06493 2/20 0.72
CCNB1 P14635 2/20 0.72
MAOA P21397 1/20 0.66
CCNT1 O60563 1/20 0.65
CCNE1 P24864 1/20 0.65
CCND3 P30281 1/20 0.65
FLT3 P36888 1/20 0.65
CDK9 P50750 1/20 0.65
CDK6 Q00534 1/20 0.65
SYK P43405 1/20 0.54
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
JAK3 P52333 1/20 0.47
ABL1 P00519 1/20 0.47

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
SCHEMBL9959938 0.83 GRM5 (1.00) GRM5MAOBCDK5CDK5R1CCNA2
SCHEMBL9959836 0.83 CDK5 (1.00) GRM5MAOBCDK5CDK5R1CCNA2
SCHEMBL23657061 0.82 GRM5 (0.95) GRM5MAOBCDK5CDK5R1CCNA2
SCHEMBL9958935 0.82 GRM5 (0.70) GRM5MAOBCDK5CDK5R1CCNA2
SCHEMBL9955475 0.80 GRM5 (1.00) GRM5MAOBCDK5CDK5R1CCNA2
SCHEMBL15058636 0.80 GRM5 (0.67) GRM5MAOBCDK5CDK5R1CCNA2
SCHEMBL11297563 0.79 GRM5 (0.65) GRM5MAOBCDK5CDK5R1CCNA2
SCHEMBL9954113 0.77 GRM5 (0.61) GRM5MAOBCDK5CDK5R1CCNA2
SCHEMBL9954102 0.77 MAOB (0.61) GRM5MAOBMAOA
SCHEMBL23657025 0.77 GRM5 (0.69) GRM5MAOBCDK5CDK5R1CCNA2

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