SCHEMBL26977191

SCHEMBL26977191

CN1CCC(c2ccc3cccc(-c4ccc5nn(C)cc5c4)c3n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.40
GRM1 Q13255 5/20 0.40
HTT P42858 1/20 0.39
MAT2A P31153 7/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
DYRK1A Q13627 1/20 0.38
HIPK1 Q86Z02 1/20 0.38
HIPK2 Q9H2X6 1/20 0.38
HIPK3 Q9H422 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
MET P08581 1/20 0.36
KDM1A O60341 3/20 0.36

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
SCHEMBL26976968 0.90 HTT (0.51) GRM5GRM1HTTMAT2ABRD4
SCHEMBL26976934 0.88 TLR8 (0.40) GRM5GRM1MAT2ACLK1CLK2
SCHEMBL21979906 0.83 HTT (0.43) GRM5GRM1HTTMAT2ADYRK1A
Hydrochloric Acid SCHEMBL21980096 0.82 HTT (0.43) GRM5GRM1HTTMAT2ADYRK1A
SCHEMBL7499536 0.74 BRD4 (0.41) GRM5GRM1HTTMAT2ABRD4
SCHEMBL26977043 0.74 TLR8 (0.46) CLK1CLK2DYRK1AHIPK1HIPK2
SCHEMBL26976948 0.73 MAT2A (0.40) GRM5GRM1HTTMAT2ACLK1
SCHEMBL21980140 0.73 HTT (0.56) GRM5GRM1HTTMAT2ADYRK1A
Hydrochloric Acid SCHEMBL21980201 0.72 HTT (0.55) GRM5GRM1HTTMAT2ADYRK1A
SCHEMBL26977015 0.71 HTT (0.53) GRM5GRM1HTT

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
EP-3634953-B1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2024-01-03 EP claimed