SCHEMBL7942816

SCHEMBL7942816

CCCCS(=O)(=O)c1ccc(-c2sc3cc(S(=O)(=O)CCCC)ccc3c2-c2cc(OCCCN3CCCCC3)ccc2C=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.50
ESR2 Q92731 10/20 0.50
ENPP3 O14638 6/20 0.42
ENPP1 P22413 6/20 0.42
ABCC1 P33527 1/20 0.41
STS P08842 1/20 0.40

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
SCHEMBL7942841 0.97 ESR1 (0.52) ESR1ESR2ENPP3ENPP1ABCC1
SCHEMBL7944288 0.95 ESR1 (0.51) ESR1ESR2ENPP3ENPP1ABCC1
SCHEMBL7944330 0.95 ESR1 (0.51) ESR1ESR2ENPP3ENPP1ABCC1
SCHEMBL4650889 0.81 ESR1 (0.66) ESR1ESR2ENPP3ENPP1ABCC1
SCHEMBL8978096 0.80 ESR1 (0.51) ESR1ESR2ENPP3ENPP1ABCC1
SCHEMBL7092816 0.79 ESR1 (0.63) ESR1ESR2ENPP3ENPP1
Hydrochloric Acid SCHEMBL8866853 0.79 ENPP3 (0.56) ESR1ESR2ENPP3ENPP1ABCC1
SCHEMBL987943 0.78 ESR1 (0.64) ESR1ESR2
SCHEMBL4651812 0.78 ESR1 (0.71) ESR1ESR2ENPP3ENPP1ABCC1
Hydrochloric Acid SCHEMBL3974968 0.77 ESR1 (0.64) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6221838-B1 Methods of treating neuropeptide Y-associated conditions ELI LILLY AND COMPANY 2001-04-24 US disclosed
US-6121292-A BY ADMINSTERING A SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE, INDOLE, OR (DIHYDRO)NAPHTHYLENE, OF GIVEN FORMULA SUCH AS (6-(N-BUTYLSULFONOYL)-2-(4(N-BUTYLSULFONYL)PHENYL)BENZO(B)-THIEN-3-YL)(4(2 -(1-PIPERIDINYL)ETHOXY)PHENYL)METHANONE ELI LILLY AND COMPANY (US) 2000-09-19 US disclosed
US-5972888-A LOWERING THE PRODUCTION OR RELEASE OF NEUROPEPTIDE Y WHICH COMPRISES ADMINISTERING TO A MAMMAL IN NEED THEREOF AN EFFECTIVE AMOUNT OF AN ISOLATED NATURALLY OCCURRING OBESITY PROTEIN, OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ELI LILLY AND COMPANY (US) 1999-10-26 US disclosed
EP-0617030-B1 Sulfonate and carbamate derivatives of 3-aroylbenzo (beta) thiophenes LILLY CO ELI (US) 1999-05-26 EP disclosed
EP-0895781-A2 Use of benzofurans, benzothiophenes or indoles for the manufacture of a medicament for the treatment of conditions associated with an excess of tachykinins ELI LILLY AND COMPANY (US) 1999-02-10 EP disclosed
EP-0820769-A2 Use of benzothiophenes for the manufacture of a medicament for the treatment of diseases associated with an excess of tachykinis ELI LILLY AND COMPANY (US) 1998-01-28 EP disclosed
EP-0736007-A4 NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-03-19 EP disclosed
EP-0759441-A2 Methods of treating neuropeptide Y-associated conditions ELI LILLY AND COMPANY (US) 1997-02-26 EP disclosed
US-5605924-A USEFUL IN PREVENTING BONE LOSS, TREATING HYPERCHOLESTEREMIA AND TREATING HORMONE DEPENDENT MAMMALIAN BREAST AND UTERINE CARCINOMA ELI LILLY AND COMPANY (US) 1997-02-25 US disclosed
EP-0754464-A2 Methods of treating neuropeptide Y-associated conditions ELI LILLY AND COMPANY (US) 1997-01-22 EP disclosed
EP-0736007-A1 NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-10-09 EP disclosed
EP-0716854-A2 Compositions for inhibiting neuropeptide y receptors ELI LILLY AND COMPANY (US) 1996-06-19 EP disclosed
EP-0709090-A2 Compositions for treating resistant tumors ELI LILLY AND COMPANY (US) 1996-05-01 EP disclosed
WO-1996011677-A1 METHODS FOR TREATING RESISTANT TUMORS ELI LILLY AND COMPANY (US) 1996-04-25 WO disclosed
EP-0707852-A2 Bicyclic bradykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-04-24 EP disclosed
US-5482949-A INHIBITING BONE LOSS, LOWERING CHOLESTEROL LEVELS, AND TREATING ESTROGEN DEPENDENT MAMMARY OR UTERINE CARCINOMA ELI LILLY AND COMPANY (US) 1996-01-09 US disclosed
WO-1995017382-A1 NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1995-06-29 WO disclosed
EP-0617030-A1 Sulfonate and carbamate derivatives of 3-aroylbenzo (beta) thiophenes ELI LILLY AND COMPANY (US) 1994-09-28 EP disclosed