SCHEMBL16701296

SCHEMBL16701296

Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCC2CCCN2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 17/20 0.69
ESR2 Q92731 5/20 0.69
MLNR O43193 1/20 0.69
NR1I2 O75469 1/20 0.69
NR3C1 P04150 1/20 0.69
CHRM2 P08172 1/20 0.69
ADRB1 P08588 1/20 0.69
ADRA2A P08913 1/20 0.69
ADORA3 P0DMS8 1/20 0.69
CHRM1 P11229 1/20 0.69
DRD2 P14416 1/20 0.69
ADRA2B P18089 1/20 0.69
ADRA2C P18825 1/20 0.69
CHRM3 P20309 1/20 0.69
SLC6A2 P23975 1/20 0.69
NPY1R P25929 1/20 0.69
HTR2A P28223 1/20 0.69
HTR2C P28335 1/20 0.69
AVPR2 P30518 1/20 0.69
SLC6A4 P31645 1/20 0.69

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
SCHEMBL3258716 1.00 ESR1 (0.69) ESR1ESR2MLNRNR1I2NR3C1
SCHEMBL115735 1.00 ESR1 (0.69) ESR1ESR2MLNRNR1I2NR3C1
Bromide SCHEMBL3639072 0.99 ESR1 (0.68) ESR1ESR2MLNRNR1I2NR3C1
SCHEMBL3801089 0.93 ESR1 (0.61) ESR1ESR2MLNRNR1I2NR3C1
SCHEMBL3713135 0.89 ESR1 (0.63) ESR1ESR2MLNRNR1I2NR3C1
SCHEMBL23350302 0.85 ESR1 (0.66) ESR1ESR2MLNRNR1I2NR3C1
SCHEMBL19235625 0.82 ESR1 (0.73) ESR1ESR2MLNRNR1I2NR3C1
Lasofoxifene SCHEMBL9885582 0.82 ESR1 (1.00) ESR1ESR2MLNRNR1I2NR3C1
Lasofoxifene SCHEMBL3774585 0.82 ESR1 (1.00) ESR1ESR2MLNRNR1I2NR3C1
Lasofoxifene SCHEMBL3774592 0.82 ESR1 (1.00) ESR1ESR2MLNRNR1I2NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018195202-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER PELLFICURE PHARMACEUTICALS INC. (US) 2018-10-25 WO disclosed
EP-3083995-A2 MEANS AND METHODS FOR TYPING A BREAST CANCER PATIENT AND ASSIGNING THERAPY BASED ON THE TYPING Stichting Het Nederlands Kanker Instituut- Antoni van Leeuwenhoek Ziekenhuis (NL) 2016-10-26 EP disclosed
EP-3068433-A1 METHODS AND PHARMACEUTICAL FORMULATIONS FOR TREATMENT OF SELECTIVE ESTROGEN-RECEPTOR MODULATOR-INDUCED ADVERSE DRUG REACTIONS Limoxifen B.V. (NL) 2016-09-21 EP disclosed
WO-2015093948-A2 MEANS AND METHODS FOR TYPING A BREAST CANCER PATIENT AND ASSIGNING THERAPY BASED ON THE TYPING Stichting Het Nederlands Kanker Instituut-Antoni van Leeuwenhoek Ziekenhuis (NL) 2015-06-25 WO disclosed
WO-2015069115-A1 METHODS AND PHARMACEUTICAL FORMULATIONS FOR TREATMENT OF SELECTIVE ESTROGEN-RECEPTOR MODULATOR-INDUCED ADVERSE DRUG REACTIONS LIMBIC BRAIN COMPANY B.V. (NL) 2015-05-14 WO disclosed