SCHEMBL3634548

SCHEMBL3634548

Oc1cc2c(cc1-c1ccccc1)C(c1ccc(OCCC3CCCN3)cc1)CCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.47
ALOX15 P16050 1/20 0.47
LTA4H P09960 6/20 0.39
CHEK2 O96017 1/20 0.38
SSTR2 P30874 2/20 0.37
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
DRD2 P14416 2/20 0.36
ADRA2C P18825 2/20 0.36
MLNR O43193 1/20 0.36
NR1I2 O75469 1/20 0.36
NR3C1 P04150 1/20 0.36
CHRM2 P08172 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
ADRA2B P18089 1/20 0.36
CHRM3 P20309 1/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL116156 0.75 CHRNB4 (0.50) IGF1RALOX15ESR1ESR2DRD2
SCHEMBL115735 0.72 ESR1 (0.69) ESR1ESR2DRD2ADRA2CMLNR
SCHEMBL16701296 0.72 ESR1 (0.69) ESR1ESR2DRD2ADRA2CMLNR
SCHEMBL3258716 0.72 ESR1 (0.69) ESR1ESR2DRD2ADRA2CMLNR
SCHEMBL6610063 0.72 LTA4H (0.57) LTA4HSLC6A2HTR2AHTR2BSLC6A3
Bromide SCHEMBL3639072 0.72 ESR1 (0.68) ESR1ESR2DRD2ADRA2CMLNR
SCHEMBL11448511 0.70 CHRNA3 (0.50) LTA4HCHEK2
SCHEMBL4965391 0.68 LTA4H (0.64) LTA4HSLC6A2HTR2AHTR2BSLC6A3
SCHEMBL8476007 0.68 LTA4H (0.55) LTA4H
SCHEMBL7327575 0.67 LTA4H (0.60) LTA4HNPY1RHTR2CHTR2BKDM4E

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-2164836-A2 METHOD FOR THE PREPARATION OF LASOFOXIFENE AND CRYSTALLINE INTERMEDIATES USED THEREIN Zentiva, k.s. (CZ) 2010-03-24 EP claimed
WO-2008145075-A2 METHOD FOR THE PREPARATION OF LASOFOXIFENE AND CRYSTALLINE INTERMEDIATES USED THEREIN ZENTIVA, A.S. (CZ) 2008-12-04 WO claimed