SCHEMBL9317264

SCHEMBL9317264

CCC1Cc2c(F)cccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 3/20 0.46
CYP19A1 P11511 2/20 0.43
ACHE P22303 2/20 0.40
DRD2 P14416 3/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
AADAT Q8N5Z0 1/20 0.36
DRD3 P35462 2/20 0.35
MAPK1 P28482 1/20 0.35
SRD5A1 P18405 1/20 0.35
HTR1A P08908 2/20 0.35
HTR7 P34969 2/20 0.35

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
SCHEMBL7627859 0.81 ACHE (0.62) METAP1CYP19A1ACHEHTR2AHTR2C
SCHEMBL5952774 0.80 METAP1 (0.43) METAP1CYP19A1ACHEAADATHTR1A
SCHEMBL1582991 0.80 METAP1 (0.43) METAP1CYP19A1ACHE
SCHEMBL1583277 0.79 METAP1 (0.42) METAP1CYP19A1ACHEHTR1AHTR7
SCHEMBL6472550 0.77 ACHE (0.66) METAP1CYP19A1ACHEDRD2HTR2A
SCHEMBL5952468 0.76 ACHE (0.41) METAP1CYP19A1ACHE
SCHEMBL16230152 0.76 CYP19A1 (0.40) METAP1CYP19A1ACHEDRD2HTR2A
SCHEMBL16556014 0.75 ACHE (0.41) METAP1CYP19A1ACHEDRD2HTR2A
SCHEMBL5951285 0.75 METAP1 (0.39) METAP1CYP19A1ACHEHTR2AHTR2C
SCHEMBL5951960 0.75 HTR7 (0.44) METAP1CYP19A1ACHEHTR1AHTR7

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-1994008954-A1 ARTHROPODICIDAL SEMICARBAZONES LAHM, GEORGE, PHILIP 1994-04-28 WO disclosed