SCHEMBL6895273

SCHEMBL6895273

CCCCCCCCCC(Oc1ccc(C2c3ccc(OCc4ccccc4)cc3OCC2c2ccccc2)cc1)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.44
ESR2 Q92731 5/20 0.44
NPSR1 Q6W5P4 2/20 0.38
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
FFAR1 O14842 2/20 0.36
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
CTRC Q99895 1/20 0.35
HTR2B P41595 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
NFKB1 P19838 1/20 0.34
GRM5 P41594 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL6899567 0.94 ESR1 (0.46) ESR1ESR2NPSR1DRD2DRD3
SCHEMBL8173330 0.90 ESR1 (0.41) ESR1ESR2DRD2DRD3SMN1; SMN2
SCHEMBL7555592 0.90 ESR1 (0.53) ESR1ESR2DRD2DRD3HTR2B
Hydrochloric Acid SCHEMBL7953071 0.89 ESR1 (0.53) ESR1ESR2DRD2DRD3HTR2B
SCHEMBL8502241 0.88 ESR1 (0.40) ESR1ESR2DRD2DRD3ALDH1A1
SCHEMBL7055576 0.86 ESR1 (0.49) ESR1ESR2NPSR1DRD2DRD3
SCHEMBL7954544 0.85 ESR1 (0.44) ESR1ESR2DRD2DRD3GRIN1
SCHEMBL6898886 0.83 ESR1 (0.43) ESR1ESR2DRD2DRD3GRIN1
SCHEMBL7507372 0.83 ESR1 (0.56) ESR1ESR2DRD2DRD3HTR2B
SCHEMBL7504688 0.81 ESR1 (0.42) ESR1ESR2DRD2DRD3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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-0934299-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-1998018778-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-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