SCHEMBL7944330

SCHEMBL7944330

CCCCCCS(=O)(=O)c1ccc(-c2sc3cc(S(=O)(=O)CCCCCC)ccc3c2-c2cc(OCCN3CCCCC3)ccc2C=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.51
ESR2 Q92731 9/20 0.51
ENPP3 O14638 6/20 0.45
ENPP1 P22413 6/20 0.45
ABCC1 P33527 1/20 0.43
STS P08842 1/20 0.42
ITGA4 P13612 1/20 0.42
MEN1 O00255 1/20 0.42
PLD2 O14939 1/20 0.42
KDM1A O60341 1/20 0.42
NR1I2 O75469 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
C5 P01031 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
FYN P06241 1/20 0.42
PGR P06401 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42

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
SCHEMBL7944288 1.00 ESR1 (0.51) ESR1ESR2ENPP3ENPP1ABCC1
SCHEMBL7942841 0.98 ESR1 (0.52) ESR1ESR2ENPP3ENPP1ABCC1
SCHEMBL7942816 0.95 ESR1 (0.50) ESR1ESR2ENPP3ENPP1ABCC1
SCHEMBL7092816 0.82 ESR1 (0.63) ESR1ESR2ENPP3ENPP1ITGA4
SCHEMBL4653105 0.82 ESR1 (0.69) ESR1ESR2ENPP3ENPP1ABCC1
SCHEMBL8042270 0.82 ESR1 (0.69) ESR1ESR2ENPP3ENPP1ABCC1
SCHEMBL8442470 0.82 ESR1 (0.69) ESR1ESR2ENPP3ENPP1ABCC1
Hydrochloric Acid SCHEMBL8866853 0.82 ENPP3 (0.56) ESR1ESR2ENPP3ENPP1ABCC1
SCHEMBL8978096 0.81 ESR1 (0.51) ESR1ESR2ENPP3ENPP1ABCC1
SCHEMBL4653095 0.81 ESR1 (0.70) ESR1ESR2ENPP3ENPP1ABCC1

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 12 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-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-0759441-A2 Methods of treating neuropeptide Y-associated conditions ELI LILLY AND COMPANY (US) 1997-02-26 EP disclosed
EP-0754464-A2 Methods of treating neuropeptide Y-associated conditions ELI LILLY AND COMPANY (US) 1997-01-22 EP disclosed
EP-0716854-A2 Compositions for inhibiting neuropeptide y receptors ELI LILLY AND COMPANY (US) 1996-06-19 EP disclosed
WO-1996012488-A1 BICYCLIC BRADYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-05-02 WO 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