SCHEMBL7987592

SCHEMBL7987592

ClCOc1ccc2cnncc2c1C#CCCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.52
PDE4B Q07343 4/20 0.52
PDE4C Q08493 4/20 0.52
PDE4D Q08499 4/20 0.52
GRM5 P41594 2/20 0.40
CXCR2 P25025 1/20 0.37
EGFR P00533 1/20 0.33
IDO1 P14902 1/20 0.31
NAAA Q02083 1/20 0.30

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
SCHEMBL6587107 0.71 PDE4D (0.71) PDE4APDE4BPDE4CPDE4DGRM5
SCHEMBL6586660 0.69 PDE4D (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL6586028 0.64 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DGRM5
SCHEMBL8330962 0.63 GRM5 (0.47) PDE4APDE4BPDE4CPDE4DGRM5
SCHEMBL29187194 0.61 GRM5 (0.54) GRM5
SCHEMBL432616 0.60 SIGMAR1 (0.54) IDO1
SCHEMBL28175144 0.60 GRM5 (0.51) GRM5IDO1
SCHEMBL5966248 0.59 GRM5 (0.50) GRM5IDO1
SCHEMBL27923940 0.59 SIGMAR1 (0.52) IDO1
SCHEMBL3058265 0.59 CHRNB2 (0.59) GRM5

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-6329370-B1 CARDIOVASCULAR DISORDERS AND TUMOR NECROSIS FACTOR (HEREINAFTER TNF.SUB..ALPHA.), A CYTOKINE WITH PRO-INFLAMMATORY ACTIVITY ZAMBON GROUP S.P.A. (IT) 2001-12-11 US disclosed