SCHEMBL10645652

SCHEMBL10645652

COc1cc2c(cc1OC)CC(=O)N(CCCN(C)CCc1c[nH]c3c(C)cccc13)CC2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCN4 Q9Y3Q4 2/20 0.63
MAPT P10636 2/20 0.63
ALOX15 P16050 2/20 0.62
CYP3A4 P08684 1/20 0.62
CHRM2 P08172 1/20 0.53
HTR1A P08908 1/20 0.53
SLC6A4 P31645 1/20 0.53
DRD3 P35462 1/20 0.53
KCNH2 Q12809 1/20 0.53
HTR6 P50406 1/20 0.44
SMPD1 P17405 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
PDE4D Q08499 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL10645664 0.89 HCN4 (0.64) HCN4MAPTALOX15CYP3A4CHRM2
SCHEMBL10650807 0.85 HCN4 (0.61) HCN4MAPTALOX15CYP3A4CHRM2
SCHEMBL9624887 0.84 HTR6 (0.45) HCN4MAPTALOX15CYP3A4HTR6
SCHEMBL10648137 0.84 HCN4 (0.58) HCN4MAPTALOX15CYP3A4CHRM2
SCHEMBL10649533 0.84 HCN4 (0.62) HCN4MAPTALOX15CYP3A4CHRM2
SCHEMBL10647093 0.83 HCN4 (0.57) HCN4MAPTALOX15CYP3A4CHRM2
SCHEMBL10648293 0.83 HCN4 (0.61) HCN4MAPTALOX15CYP3A4CHRM2
SCHEMBL10645698 0.83 HCN4 (0.61) HCN4MAPTALOX15CYP3A4CHRM2
SCHEMBL10651047 0.82 HCN4 (0.50) HCN4MAPTALOX15CYP3A4CHRM2
SCHEMBL10648636 0.82 HCN4 (0.56) HCN4MAPTALOX15CYP3A4CHRM2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0146787-B1 INDOLE DERIVATIVES, MEDICAMENTS CONTAINING THESE COMPOUNDS, AND PROCESS FOR THEIR PREPARATION Dr. Karl Thomae GmbH (DE) 1988-08-17 EP disclosed
US-4616011-A BRADYCARDIAL AND ANTIISCHEMIC AGENTS; CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1986-10-07 US disclosed