SCHEMBL8876986

SCHEMBL8876986

COC(=O)c1cccc2c(=O)c(C)c(-c3cccc4ccccc34)oc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
ALDH1A1 P00352 7/20 0.49
LMNA P02545 5/20 0.49
KDM4E B2RXH2 3/20 0.47
HTR1A P08908 2/20 0.47
ADRA1A P35348 2/20 0.47
SLC6A2 P23975 2/20 0.47
CYP1A2 P05177 1/20 0.47
CHRM2 P08172 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CYP2D6 P10635 1/20 0.47
CHRM1 P11229 1/20 0.47
ACHE P22303 1/20 0.47
PDE4A P27815 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL8874964 0.87 MAPT (0.58) MAPTALDH1A1LMNAKDM4EHTR1A
SCHEMBL8875692 0.86 LMNA (0.47) MAPTALDH1A1LMNAKDM4EHTR1A
SCHEMBL10710173 0.84 MAPT (0.68) MAPTALDH1A1LMNAKDM4EHTR1A
SCHEMBL8876075 0.81 ALDH1A1 (0.64) MAPTALDH1A1LMNAKDM4EHTR1A
SCHEMBL10839762 0.78 LMNA (0.53) MAPTALDH1A1LMNAKDM4EHTR1A
SCHEMBL10840925 0.77 ALOX5 (0.56) MAPTALDH1A1LMNAKDM4EHTR1A
SCHEMBL10842338 0.77 LMNA (0.52) MAPTALDH1A1LMNAKDM4EHTR1A
SCHEMBL27347476 0.77 MAPT (0.57) MAPTALDH1A1LMNAKDM4EHTR1A
SCHEMBL20346587 0.77 ABCG2 (0.47) MAPTALDH1A1KDM4ECYP1A2GLA
SCHEMBL10842711 0.76 ALDH1A1 (0.57) MAPTALDH1A1LMNAKDM4EHTR1A

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-5605896-A Bicyclic heterocyclic derivatives having α1 adrenergic and 5HT1A activities RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1997-02-25 US disclosed