SCHEMBL4818333

SCHEMBL4818333

Cc1cc(-c2cccnc2)cc2c1C(=O)N(N(C)C1CCCCC1)C2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 3/20 0.45
CYP11B1 P15538 6/20 0.39
CYP11B2 P19099 7/20 0.39
GBA1 P04062 4/20 0.38
CYP1A2 P05177 2/20 0.38
HTR6 P50406 1/20 0.38
CYP17A1 P05093 1/20 0.37
CYP19A1 P11511 1/20 0.37
BACE1 P56817 1/20 0.37
KCNH2 Q12809 1/20 0.37
DYRK1A Q13627 1/20 0.36
CNR1 P21554 1/20 0.36
CHEK1 O14757 1/20 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
SCHEMBL8230137 0.82 PIK3CG (0.48) PIK3CGCYP11B1CYP11B2CYP1A2HTR6
SCHEMBL8237567 0.81 PIK3CG (0.49) PIK3CGCYP11B1CYP11B2CYP1A2CYP17A1
SCHEMBL8231088 0.81 PIK3CG (0.49) PIK3CGCYP11B1CYP11B2CYP1A2CYP17A1
SCHEMBL4748291 0.79 PIK3CG (0.49) PIK3CGCYP11B1CYP11B2CYP1A2HTR6
SCHEMBL2026420 0.78 PIK3CG (0.66) PIK3CGCYP1A2
SCHEMBL8270165 0.78 PIK3CG (0.66) PIK3CGCYP1A2
SCHEMBL2020904 0.78 PIK3CG (0.66) PIK3CGCYP1A2
SCHEMBL4328277 0.78 PIK3CG (0.50) PIK3CGCYP11B1CYP11B2CYP1A2CYP17A1
Isopropyl Alcohol SCHEMBL4983070 0.78 PIK3CG (0.49) PIK3CGCYP11B1CYP11B2CYP1A2CNR1
Isopropyl Alcohol SCHEMBL4984693 0.76 PIK3CG (0.50) PIK3CGCYP11B1CYP11B2CYP1A2CNR1

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-2008130853-A1 HYDRAZIDES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS - 681 ASTRAZENECA AB (SE) 2008-10-30 WO claimed
WO-2008130853-A1 HYDRAZIDES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS - 681 ASTRAZENECA AB (SE) 2008-10-30 WO disclosed