SCHEMBL7801089

SCHEMBL7801089

CCN(CC)CCOc1ccc(C(=C(Cc2ccccc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 14/20 0.67
EBP Q15125 4/20 0.67
SIGMAR1 Q99720 4/20 0.67
KMT2A Q03164 4/20 0.67
MAPT P10636 4/20 0.67
KCNH2 Q12809 3/20 0.67
CHRM2 P08172 3/20 0.67
ADRA2A P08913 3/20 0.67
ADORA3 P0DMS8 3/20 0.67
CHRM1 P11229 3/20 0.67
PTGS1 P23219 3/20 0.67
SLC6A2 P23975 3/20 0.67
SLC6A4 P31645 3/20 0.67
DRD3 P35462 3/20 0.67
HTR6 P50406 3/20 0.67
SLC6A3 Q01959 3/20 0.67
CYP2D6 P10635 3/20 0.67
MEN1 O00255 3/20 0.67
PGR P06401 3/20 0.67
EGFR P00533 2/20 0.67

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
SCHEMBL7599819 0.90 EBP (0.74) ESR1EBPSIGMAR1KMT2AMAPT
SCHEMBL7599292 0.90 EBP (0.74) ESR1EBPSIGMAR1KMT2AMAPT
SCHEMBL17164687 0.88 ESR1 (0.79) ESR1EBPSIGMAR1KMT2AMAPT
SCHEMBL17164682 0.88 ESR1 (0.79) ESR1EBPSIGMAR1KMT2AMAPT
SCHEMBL7602293 0.86 ESR1 (0.65) ESR1EBPSIGMAR1KMT2AMAPT
SCHEMBL14044785 0.86 ESR1 (0.71) ESR1EBPSIGMAR1KMT2AMAPT
SCHEMBL9451189 0.86 ESR1 (0.72) ESR1EBPSIGMAR1KMT2AMAPT
SCHEMBL9451187 0.86 ESR1 (0.72) ESR1EBPSIGMAR1KMT2AMAPT
SCHEMBL906174 0.84 HTR6 (0.77) ESR1EBPSIGMAR1KMT2AMAPT
SCHEMBL906173 0.84 HTR6 (0.77) ESR1EBPSIGMAR1KMT2AMAPT

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-1127045-A2 USE OF TRIPHENYLBUTENE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS AstraZeneca AB (SE) 2001-08-29 EP claimed
WO-2000025767-A2 USE OF TRIPHENYLBUTENE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS ASTRAZENECA AB (SE) 2000-05-11 WO claimed