SCHEMBL6898861

SCHEMBL6898861

COc1ccc2c(c1)[C@@H](c1ccc(OCCN3CCCC3)cc1)[C@@H](c1ccccc1)CO2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 15/20 0.72
ESR2 Q92731 14/20 0.72
KCNH2 Q12809 3/20 0.61
HRH3 Q9Y5N1 3/20 0.61
CHRM2 P08172 2/20 0.61
ADRA2A P08913 2/20 0.61
ADORA3 P0DMS8 2/20 0.61
CHRM1 P11229 2/20 0.61
SLC6A2 P23975 2/20 0.61
SLC6A4 P31645 2/20 0.61
ADRA1A P35348 2/20 0.61
DRD3 P35462 2/20 0.61
SLC6A3 Q01959 2/20 0.61
PGR P06401 1/20 0.61
HTR1A P08908 1/20 0.61
DRD1 P21728 1/20 0.61
TBXA2R P21731 1/20 0.61
PTGS1 P23219 1/20 0.61
OPRM1 P35372 1/20 0.61
HTT P42858 1/20 0.61

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
SCHEMBL6898865 1.00 ESR1 (0.72) ESR1ESR2KCNH2HRH3CHRM2
SCHEMBL6901987 1.00 ESR1 (0.72) ESR1ESR2KCNH2HRH3CHRM2
SCHEMBL7508657 0.93 ESR1 (0.65) ESR1ESR2KCNH2HRH3CHRM2
SCHEMBL7508663 0.93 ESR1 (0.65) ESR1ESR2KCNH2HRH3CHRM2
SCHEMBL8347502 0.92 ESR1 (0.81) ESR1ESR2KCNH2HRH3CHRM2
SCHEMBL8347024 0.92 ESR1 (0.81) ESR1ESR2KCNH2HRH3CHRM2
SCHEMBL4361613 0.92 ESR1 (0.81) ESR1ESR2KCNH2HRH3CHRM2
SCHEMBL7017857 0.92 ESR1 (0.81) ESR1ESR2KCNH2HRH3CHRM2
SCHEMBL7017849 0.92 ESR1 (0.81) ESR1ESR2KCNH2HRH3CHRM2
SCHEMBL6896052 0.91 ESR1 (0.81) ESR1ESR2KCNH2HRH3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937058-A1 NOVEL $i(CIS)-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1999-08-25 EP claimed
WO-1998018773-A1 NOVEL CIS-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1998-05-07 WO claimed
EP-1465619-A1 SUPPRESSION OF CARTILAGE DEGRADATION VIA THE ESTROGEN RECEPTOR Nordic Bioscience A/S (DK) 2004-10-13 EP disclosed
WO-2003063859-A1 SUPPRESSION OF CARTILAGE DEGRADATION VIA THE ESTROGEN RECEPTOR NORDIC BIOSCIENCE A/S (DK) 2003-08-07 WO disclosed
EP-0937060-B1 CIS-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK AS (DK) 2002-12-11 EP disclosed
US-6316494-B1 FOR THERAPY AND PROPHYLAXIS OF BONE LOSS, OSTEOPOROSIS, CARDIOVASCULAR DISEASES, COGNITIVE DISORDERS, MENOPAUSAL SYMPTOMS, INCONTINENCE, OBESITY, DYSMENORRHEA, DYSFUNCTIONAL UTERINE BLEEDING, ACNE, HIRSUTISM, POST-PARTUM LACTATION NOVO NORDISK A/S (DK) 2001-11-13 US disclosed
US-6043269-A ESTROGEN AGONISTS NOVO NORDISK A/S (DK) 2000-03-28 US disclosed
US-5958967-A CARDIOVASCULAR DISORDERS, COGNITION ACTIVATORS, INCONTINENCE,UROGENITAL DISORDERS, ACNE NOVO NORDISK A/S (DK) 1999-09-28 US disclosed
EP-0937060-A1 NOVEL $i(CIS)-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1999-08-25 EP disclosed
EP-0937058-A1 NOVEL $i(CIS)-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1999-08-25 EP disclosed
EP-0934297-A1 NOVEL $i(cis)-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1999-08-11 EP disclosed
WO-1998018773-A1 NOVEL CIS-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1998-05-07 WO disclosed
WO-1998018772-A1 NOVEL cis-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1998-05-07 WO disclosed
WO-1998018776-A1 NOVEL CIS-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1998-05-07 WO disclosed