SCHEMBL8306887

SCHEMBL8306887

CC(C)(C)n1nnnc1-c1ccccc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.44
HSD11B1 P28845 2/20 0.44
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 4/20 0.36
POLB P06746 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
MEN1 O00255 2/20 0.34
TSHR P16473 2/20 0.34
KMT2A Q03164 2/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
MAPK1 P28482 2/20 0.34
PBRM1 Q86U86 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 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
SCHEMBL2447241 0.81 KCNN4 (0.43) KCNN4HSD11B1SLC6A2SLC6A4ALDH1A1
SCHEMBL7647188 0.79 POLB (0.41) KCNN4NPC1RAB9AALDH1A1POLB
SCHEMBL7353764 0.78 KCNN4 (0.54) KCNN4HSD11B1ALDH1A1POLBMEN1
SCHEMBL7443610 0.78 NPSR1 (0.38) NPC1ALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL7670834 0.76 AGTR1 (0.39) ALDH1A1SMN1; SMN2LMNANPSR1MEN1
SCHEMBL4408728 0.75 ALDH1A1 (0.50) HSD11B1ALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL8539617 0.73 KCNN4 (0.44) KCNN4HSD11B1SLC6A2SLC6A4NPC1
SCHEMBL6671874 0.69 NPSR1 (0.34) ALDH1A1POLBSMN1; SMN2LMNANPSR1
SCHEMBL9139454 0.68 KCNN4 (0.52) KCNN4HSD11B1ALDH1A1POLBSMN1; SMN2
SCHEMBL5813523 0.68 P2RX7 (0.65) SLC6A2SLC6A4ALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5965738-A Process for producing N-biphenylmethylthiadiazoline derivative or salt thereof and intermediate for producing the same WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1999-10-12 US disclosed
EP-0782996-B1 PROCESS FOR PRODUCING N-BIPHENYLMETHYLTHIADIAZOLINE DERIVATIVE OR SALT THEREOF AND INTERMEDIATE FOR PRODUCING THE SAME WAKUNAGA SEIYAKU KK (JP) 1999-02-17 EP disclosed
CN-1039324-C Substituted azacyclo-pyrimidine compounds, their pharmaceutical salts or N-oxides, and their use as anti-inflammatory agents AMERICAN HOME PROD (US) 1998-07-29 CN disclosed
CN-1175414-A Method for preparing substd. azacyclopyrimidine compound, its pharmaceutic salt or N-oxide AMERICAN HOME PROD (US) 1998-03-11 CN disclosed
EP-0539086-B1 Condensed pyrimidine derivatives and their use as angiotensine II antagonists AMERICAN HOME PROD (US) 1997-12-29 EP disclosed
EP-0782996-A1 PROCESS FOR PRODUCING N-BIPHENYLMETHYLTHIADIAZOLINE DERIVATIVE OR SALT THEREOF AND INTERMEDIATE FOR PRODUCING THE SAME WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1997-07-09 EP disclosed
US-5498776-A Substituted pyrrolopyrimidines and pyridopyrimidines useful as angiotensin II antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 1996-03-12 US disclosed
US-5256654-A Substituted pyrrolopyrimidines, azepinopyrimidines and pyridopyrimidines useful as angiotensin II antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 1993-10-26 US disclosed
CN-1072682-A SUBSTITUTED PYRIMIDINES AMERICAN HOME PROD (US) 1993-06-02 CN disclosed
EP-0539086-A2 Condensed pyrimidine derivatives and their use as angiotensine II antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 1993-04-28 EP disclosed
US-5149699-A Substituted pyridopyrimidines useful as antgiotensin II antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 1992-09-22 US disclosed