SCHEMBL7213535

SCHEMBL7213535

COc1ccc2c(c1)CCC(I)=C2c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.76
SIGMAR1 Q99720 1/20 0.76
ESR1 P03372 7/20 0.56
ESR2 Q92731 6/20 0.56
HRH3 Q9Y5N1 4/20 0.55
LTA4H P09960 3/20 0.50
MAOB P27338 1/20 0.48

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
SCHEMBL8015672 0.88 EBP (0.88) EBPSIGMAR1ESR1ESR2HRH3
SCHEMBL113833 0.87 EBP (0.73) EBPSIGMAR1ESR1ESR2HRH3
Nafoxidine SCHEMBL29494604 0.86 EBP (1.00) EBPSIGMAR1ESR1ESR2HRH3
Nafoxidine SCHEMBL10563464 0.86 EBP (1.00) EBPSIGMAR1ESR1ESR2HRH3
Nafoxidine SCHEMBL153125 0.86 EBP (1.00) EBPSIGMAR1ESR1ESR2HRH3
Nafoxidine SCHEMBL115778 0.85 EBP (0.98) EBPSIGMAR1ESR1ESR2HRH3
Nafoxidine SCHEMBL29562423 0.85 EBP (0.98) EBPSIGMAR1ESR1ESR2HRH3
Nafoxidine SCHEMBL8430193 0.85 EBP (0.98) EBPSIGMAR1ESR1ESR2HRH3
SCHEMBL3804216 0.85 EBP (0.82) EBPSIGMAR1ESR1ESR2HRH3
SCHEMBL9993383 0.83 EBP (0.74) EBPSIGMAR1ESR1ESR2HRH3

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-6608212-B1 Palladium catalyzed coupling of a vinylphosphate and aryl-metal halide; preparation of such as 1-(4-(2-(pyrrolidin-n-yl)-ethoxy)phenyl)-6-methoxy-3,4-dihydronaphthalene PFIZER, INC. 2003-08-19 US disclosed