SCHEMBL8068540

SCHEMBL8068540

NC(Cc1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.52
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
EPHX1 P07099 2/20 0.45
DPP4 P27487 1/20 0.44
TACR1 P25103 1/20 0.43
SLC6A2 P23975 2/20 0.42
TAAR1 Q96RJ0 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
MAOA P21397 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 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
SCHEMBL9194002 1.00 HTR2A (0.52) HTR2ACYP1A2CYP2D6CYP2C19GRIN2D
SCHEMBL9200543 1.00 HTR2A (0.52) HTR2ACYP1A2CYP2D6CYP2C19GRIN2D
SCHEMBL8976592 0.92 HTR2A (0.52) HTR2ACYP1A2CYP2D6CYP2C19EPHX1
Bromide SCHEMBL8209117 0.88 CYP1A2 (0.55) HTR2ACYP1A2CYP2D6CYP2C19DPP4
SCHEMBL468022 0.85 EPHX1 (0.61) CYP1A2CYP2D6CYP2C19GRIN2DGRIN3B
SCHEMBL272604 0.85 EPHX1 (0.61) CYP1A2CYP2D6CYP2C19GRIN2DGRIN3B
SCHEMBL3451169 0.85 EPHX1 (0.61) CYP1A2CYP2D6CYP2C19GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL28839661 0.83 EPHX1 (0.58) CYP1A2CYP2D6CYP2C19GRIN2DGRIN3B
SCHEMBL17887234 0.82 ACP3 (0.51) CYP1A2CYP2D6CYP2C19GRIN2DGRIN3B
SCHEMBL9322166 0.82 MAOB (0.50) CYP1A2CYP2D6CYP2C19GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6017910-A PCP receptor ligands 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 AND THE UNIVERSITY OF OREGON (US) 2000-01-25 US disclosed
US-5688789-A TREATMENT OR PREVENTION OF NEURONAL LOSS IN ISCHEMIA, HYPOXIA, BRAIN OR SPINAL CORD TRAUMA, TREATMENT OF ALZHEIMER'S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS, HUNTINGTON'S DISEASE, DOWN'S SYNDROME 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 AND THE UNIVERSITY OF OREGON (US) 1997-11-18 US disclosed
US-5508401-A N-METHYL-D-ASPARTATE ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-04-16 US disclosed
EP-0573548-B1 NEUROPROTECTANT AGENTS AMERICAN HOME PROD (US) 1995-07-12 EP disclosed
EP-0587670-A4 PCP RECEPTOR LIGANDS AND THE USE THEREOF. OREGON STATE (US) 1995-02-01 EP disclosed
EP-0587670-A1 PCP RECEPTOR LIGANDS AND THE USE THEREOF STATE OF OREGON, acting through OREGON STATE BOARD OF HIGHER EDUCATION, acting for OREGON HEALTH SC. UNIV. AND UNIV. OF OREGON (US) 1994-03-23 EP disclosed
WO-1992019621-A1 PCP RECEPTOR LIGANDS 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 AND THE UNIVERSITY OF OREGON, EUGENE, OREGON (US) 1992-11-12 WO disclosed