SCHEMBL8625514

SCHEMBL8625514

[CH2]NCc1cncc(-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.50
CYP11B2 P19099 3/20 0.50
FDPS P14324 3/20 0.49
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
ATM Q13315 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
HTR1A P08908 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
KCNH2 Q12809 1/20 0.38
EPHX2 P34913 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
CHRNA7 P36544 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
PDE10A Q9Y233 1/20 0.37
CNR1 P21554 1/20 0.37
KDM4C Q9H3R0 1/20 0.37

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
SCHEMBL5498487 0.84 DRD2 (0.50) CYP11B1CYP11B2DRD2DRD4DRD3
SCHEMBL8625517 0.82 PRMT6 (0.57) CYP11B1CYP11B2FDPSATMEPHX2
SCHEMBL29373657 0.82 FDPS (0.53) CYP11B1CYP11B2FDPSDRD2DRD4
SCHEMBL402768 0.82 FDPS (0.53) CYP11B1CYP11B2FDPSDRD2DRD4
SCHEMBL5456894 0.79 CYP11B1 (0.54) CYP11B1CYP11B2FDPSDRD2DRD4
SCHEMBL27649705 0.78 ADH1B (0.55) CYP11B1CYP11B2FDPSDRD2DRD4
SCHEMBL7386284 0.77 CYP11B1 (0.46) CYP11B1CYP11B2FDPSATMMKNK1
SCHEMBL2646363 0.76 CYP11B1 (0.54) CYP11B1CYP11B2FDPSDRD2DRD4
SCHEMBL5021664 0.76 FDPS (0.57) CYP11B1CYP11B2FDPSDRD2DRD4
SCHEMBL10271979 0.76 CYP11B1 (0.54) CYP11B1CYP11B2FDPSDRD2DRD4

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
US-5767132-A CENTRAL NERVOUS SYSTEM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-06-16 US disclosed