SCHEMBL7430985

SCHEMBL7430985

CC(=Nc1ccc(Br)cc1C)Nc1ccc(Br)cc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 1.00
MAPT P10636 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 4/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
POLB P06746 1/20 0.43
DHODH Q02127 1/20 0.43
GAA P10253 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL7439012 1.00 SIGMAR1 (1.00) SIGMAR1MAPTMEN1KMT2AALDH1A1
SCHEMBL6719192 0.83 SIGMAR1 (1.00) SIGMAR1MAPTMEN1KMT2AALDH1A1
SCHEMBL7442459 0.81 SIGMAR1 (0.68) SIGMAR1MAPTMEN1KMT2AGRIN2D
SCHEMBL7442453 0.81 SIGMAR1 (0.68) SIGMAR1MAPTMEN1KMT2AGRIN2D
SCHEMBL7439025 0.79 SIGMAR1 (0.65) SIGMAR1MAPTMEN1KMT2AALDH1A1
SCHEMBL16508364 0.77 SIGMAR1 (0.62) SIGMAR1MAPTMEN1KMT2AALDH1A1
SCHEMBL3474207 0.74 MAPT (0.60) SIGMAR1MAPTMEN1KMT2AALDH1A1
SCHEMBL30526578 0.74 MAPT (0.60) SIGMAR1MAPTMEN1KMT2AALDH1A1
SCHEMBL11883891 0.73 SIGMAR1 (0.74) SIGMAR1MAPTMEN1KMT2AALDH1A1
SCHEMBL9316468 0.72 SIGMAR1 (0.63) SIGMAR1MAPTNPSR1GAAGRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5552443-A TREATMENT OF PSYCHOSIS, ANXIETY AND AS HYPOTENSIVE AGENTS OREGON HEALTH SCIENCES UNIVERSITY (US) 1996-09-03 US claimed
EP-0551330-A4 SUBSTITUTED AMIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF OREGON STATE (US) 1994-07-06 EP claimed
US-5308869-A TREATMENT OR PROPHYLAXIS OF ANXIETY IN AN ANIMAL STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION (US) 1994-05-03 US claimed
EP-0551330-A1 SUBSTITUTED AMIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF The STATE OF OREGON acting by and through the STATE BOARD OF HIGHER EDUCATION on behalf of the UNIV. OF OREGON (US) 1993-07-21 EP claimed
WO-1992004054-A1 SUBSTITUTED AMIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF STATE OF OREGON, acting by and through THE OREGON STATE BOARD OF HIGHER EDUCATION, acting for and on behalf of THE OREGON HEALTH SCIENCES UNIVERSITY, PORTLAND, OREGON, and THE UNIVERSITY OF OREGON, EUGENE, OREGON, Johnson Hall, University of Oregon (US) 1992-03-19 WO claimed
US-5552443-A TREATMENT OF PSYCHOSIS, ANXIETY AND AS HYPOTENSIVE AGENTS OREGON HEALTH SCIENCES UNIVERSITY (US) 1996-09-03 US disclosed
EP-0551330-A4 SUBSTITUTED AMIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF OREGON STATE (US) 1994-07-06 EP disclosed
US-5308869-A TREATMENT OR PROPHYLAXIS OF ANXIETY IN AN ANIMAL STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION (US) 1994-05-03 US disclosed
EP-0551330-A1 SUBSTITUTED AMIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF The STATE OF OREGON acting by and through the STATE BOARD OF HIGHER EDUCATION on behalf of the UNIV. OF OREGON (US) 1993-07-21 EP disclosed
WO-1992004054-A1 SUBSTITUTED AMIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF STATE OF OREGON, acting by and through THE OREGON STATE BOARD OF HIGHER EDUCATION, acting for and on behalf of THE OREGON HEALTH SCIENCES UNIVERSITY, PORTLAND, OREGON, and THE UNIVERSITY OF OREGON, EUGENE, OREGON, Johnson Hall, University of Oregon (US) 1992-03-19 WO disclosed