SCHEMBL4438841

SCHEMBL4438841

COc1ccc2cc(C3CCCCC3)sc2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.47
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
HTR1A P08908 3/20 0.42
MPI P34949 1/20 0.42
CHRNA7 P36544 3/20 0.40
ITK Q08881 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
DYRK1A Q13627 1/20 0.39
SLC6A4 P31645 1/20 0.39
PDK1 Q15118 1/20 0.39
BACE1 P56817 1/20 0.38
CYP2A6 P11509 1/20 0.38

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
SCHEMBL4442755 1.00 CA2 (0.47) CA2MAOAMAOBNPC1MAPT
SCHEMBL4442733 1.00 CA2 (0.47) CA2MAOAMAOBNPC1MAPT
SCHEMBL4442739 1.00 CA2 (0.47) CA2MAOAMAOBNPC1MAPT
SCHEMBL8601229 1.00 CA2 (0.47) CA2MAOAMAOBNPC1MAPT
SCHEMBL4450281 0.98 CA2 (0.48) CA2MAOAMAOBNPC1MAPT
SCHEMBL9151822 0.88 BACE1 (0.53) CA2MAOAMAOBNPC1MAPT
SCHEMBL4444144 0.86 CA2 (0.46) CA2HTR1ACHRNA7CYP1A2CYP3A4
SCHEMBL8601033 0.86 HTR1A (0.41) CA2MAOAMAOBNPC1MAPT
SCHEMBL6311284 0.85 HTR2C (0.50) CA2MAOAMAOBHTR1ACHRNA7
SCHEMBL8599298 0.84 CA2 (0.47) CA2MAOAMAOBNPC1MAPT

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-7476691-B2 Sulfamate benzothiophene derivatives as steroid sulfatase inhibitors LABORATOIRE THERAMEX (MC) 2009-01-13 US disclosed
US-6756388-B1 HAVING PIPERIDINYL AND PHENOLIC FUNCTIONALITY; BONE LOSS; BREAST OR PROSTATE CANCER PFIZER INC. 2004-06-29 US disclosed
US-6020531-A Process for the preparation of 2,6-disubstituted benzothiophene compounds TEIKOKU HORMONE MFG. CO., LTD. (JP) 2000-02-01 US disclosed
EP-0919552-A1 PROCESS FOR THE PREPARATION OF 2,6-DISUBSTITUTED BENZOTHIOPHENE COMPOUNDS TEIKOKU HORMONE MFG. CO., LTD. (JP) 1999-06-02 EP disclosed
EP-0641791-B1 NOVEL BENZOTHIOPHENE DERIVATIVE TEIKOKU HORMONE MFG CO LTD (JP) 1998-01-28 EP disclosed
US-5556876-A ANTICHOLESTEROL AGENTS USING DERIVATIVES OF BENZOTHIENYL KETONES ELI LILLY AND COMPANY (US) 1996-09-17 US disclosed
US-5552433-A ADMINISTERING SPECIFIED COMPOUND TO A HUMAN ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed
EP-0723537-A1 BENZOTHIOPHENES AND RELATED COMPOUNDS AS ESTROGEN AGONISTS PFIZER INC. (US) 1996-07-31 EP disclosed
US-5521172-A BENZOTHIOPHENE KETONES WITH BENZENE DERIVATIVES ELI LILLY AND COMPANY (US) 1996-05-28 US disclosed
US-5482950-A BENZOTHIOPHENE DERIVATIVE ELI LILLY AND COMPANY (US) 1996-01-09 US disclosed
US-5480904-A BENZOTHIOPHENE COMPOUND ELI LILLY AND COMPANY (US) 1996-01-02 US disclosed
US-5472962-A Antiestrogenic agents TEIKOKU HORMONE MFG. CO., LTD. (JP) 1995-12-05 US disclosed
US-5441964-A Especially post-memopausal women ELI LILLY AND COMPANY (US) 1995-08-15 US disclosed
EP-0657162-A1 Methods for lowering serum cholesterol ELI LILLY AND COMPANY (US) 1995-06-14 EP disclosed
EP-0651998-A1 Methods for inhibiting bone loss ELI LILLY AND COMPANY (US) 1995-05-10 EP disclosed
EP-0650724-A1 Methods for inhibiting uterine fibrosis ELI LILLY AND COMPANY (US) 1995-05-03 EP disclosed
WO-1995010513-A1 BENZOTHIOPHENES AND RELATED COMPOUNDS AS ESTROGEN AGONISTS PFIZER INC. (US) 1995-04-20 WO disclosed
EP-0641791-A1 NOVEL BENZOTHIOPHENE DERIVATIVE TEIKOKU HORMONE MFG. CO., LTD. (JP) 1995-03-08 EP disclosed