SCHEMBL8957686

SCHEMBL8957686

CC12CC3CC(C1)CC(CC(=O)OCCBr)(C3)C2

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
THRB P10828 1/20 0.57
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RAD52 P43351 1/20 0.44
GAA P10253 1/20 0.42
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 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
SCHEMBL10531350 0.83 LMNA (0.53) ALDH1A1THRBKMT2AMEN1MAPT
SCHEMBL17067654 0.78 ALDH1A1 (0.47) ALDH1A1THRBKMT2AMEN1MAPT
SCHEMBL8957683 0.77 ALDH1A1 (0.44) ALDH1A1THRBKMT2AMEN1MAPT
SCHEMBL7588383 0.75 POLB (0.64) ALDH1A1THRBKMT2AMEN1GAA
SCHEMBL10532442 0.75 GAA (0.51) ALDH1A1THRBKMT2AMEN1GAA
SCHEMBL503339 0.75 POLB (0.64) ALDH1A1THRBKMT2AMEN1GAA
SCHEMBL4453118 0.75 ALDH1A1 (0.65) ALDH1A1THRBKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL10532450 0.73 POLB (0.62) ALDH1A1THRBKMT2AMEN1GAA
SCHEMBL25288877 0.72 EPHX2 (0.52) ALDH1A1THRBKMT2AMEN1MAPT
SCHEMBL8544600 0.71 GAA (0.47) ALDH1A1THRBKMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0343961-B1 Aryl- and heteroaryl piperazinyl carboxamides having central nervous system activity AMERICAN HOME PROD (US) 1996-01-10 EP disclosed
US-5482940-A OBESITY, ALCOHOLISM AMERICAN HOME PRODUCTS CORPORATION (US) 1996-01-09 US disclosed
US-5380725-A Antipsychotic agents and anxiolytic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1995-01-10 US disclosed
US-5278160-A Treating aggressive behavior AMERICAN HOME PRODUCTS CORPORATION (US) 1994-01-11 US disclosed
US-5254552-A Cognition activators, psychological disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1993-10-19 US disclosed
US-5106849-A Treating anxiety, depression, psychoses AMERICAN HOME PRODUCTS CORPORATION (US) 1992-04-21 US disclosed
US-5010078-A Anxiolytic, antidepressant agents AMERICAN HOME PRODUCTS CORPORATION (US) 1991-04-23 US disclosed
EP-0343961-A2 Aryl- and heteroaryl piperazinyl carboxamides having central nervous system activity AMERICAN HOME PRODUCTS CORPORATION (US) 1989-11-29 EP disclosed
US-4797489-A ANTIDEPRESSANTS, ANXIOLYTIC AGENTS AMERICAN HOME PRODUCTS CORP. (US) 1989-01-10 US disclosed