SCHEMBL8512649

SCHEMBL8512649

O=C(O)C=CC=CCCc1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.57
TBXAS1 P24557 13/20 0.51
NAPRT Q6XQN6 1/20 0.49
PTAFR P25105 1/20 0.44
CHRNA7 P36544 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL8512647 1.00 GPR52 (0.57) GPR52TBXAS1NAPRTPTAFRCHRNA7
SCHEMBL8514458 0.89 GPR52 (0.65) GPR52TBXAS1NAPRTCHRNA7
SCHEMBL8514462 0.89 GPR52 (0.65) GPR52TBXAS1NAPRTCHRNA7
SCHEMBL10719514 0.85 TBXAS1 (0.54) GPR52TBXAS1NAPRTKDM4E
SCHEMBL15546010 0.82 GPR52 (0.59) GPR52
SCHEMBL8162558 0.82 GPR52 (0.59) GPR52
SCHEMBL8513342 0.82 GPR52 (0.59) GPR52
SCHEMBL8511440 0.81 CHRNA7 (0.49) GPR52TBXAS1NAPRTCHRNA7
SCHEMBL9608827 0.81 GPR52 (0.47) GPR52TBXAS1PTAFRCHRNA7
SCHEMBL11062791 0.80 TBXAS1 (0.67) GPR52TBXAS1

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-2012069605-A1 NOVEL E,E-DIENE COMPOUNDS AND THEIR USE AS MEDICAMENTS AND COSMETICS DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2012-05-31 WO disclosed