SCHEMBL7030435

SCHEMBL7030435

CCOC(CN[C@H](Cc1ccccc1)c1ccccc1)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 1/20 0.46
ADRB3 P13945 4/20 0.42
ALDH1A1 P00352 2/20 0.42
SIGMAR1 Q99720 4/20 0.41
HTT P42858 2/20 0.41
NCOA1 Q15788 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL5819528 0.78 SIGMAR1 (0.60) L3MBTL1MAPTALDH1A1SIGMAR1HTT
SCHEMBL4355200 0.78 SIGMAR1 (0.60) L3MBTL1MAPTALDH1A1SIGMAR1HTT
SCHEMBL113325 0.77 TAAR1 (0.48) L3MBTL1SIGMAR1CYP2D6SLC6A2SLC6A4
SCHEMBL289244 0.77 APAF1 (0.53) ALDH1A1HTTSMN1; SMN2KDM4ENPSR1
SCHEMBL289245 0.77 APAF1 (0.53) ALDH1A1HTTSMN1; SMN2KDM4ENPSR1
Hydrochloric Acid SCHEMBL31086290 0.76 SIGMAR1 (0.58) L3MBTL1MAPTALDH1A1SIGMAR1HTT
SCHEMBL6932504 0.74 L3MBTL1 (0.57) L3MBTL1MAPTALDH1A1SIGMAR1HTT
SCHEMBL7229438 0.74 MMP8 (0.51) L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL9155467 0.73 SIGMAR1 (0.61) L3MBTL1MAPTADRB3ALDH1A1SIGMAR1
SCHEMBL27881567 0.72 MAPT (0.51) L3MBTL1MAPTALDH1A1SIGMAR1HTT

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
EP-0470127-B1 PCP RECEPTOR LIGANDS AND THE USE THEREOF OREGON STATE (US) 2003-02-26 EP disclosed
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
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
EP-0470127-A4 PCP RECEPTOR LIGANDS AND THE USE THEREOF 1992-06-24 EP disclosed
EP-0470127-A1 PCP RECEPTOR LIGANDS AND THE USE THEREOF STATE OF OREGON BY AND THROUGH OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OREGON HEALTH SC. UNIV. AND OREGON STATE UNIV. (US) 1992-02-12 EP disclosed
US-5011834-A Treating or preventing neuronal loss in ischemia, hypoxia, brain and spinal cord trauma, Alzheimer*s 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) 1991-04-30 US disclosed
WO-1990012575-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 (US) 1990-11-01 WO disclosed