SCHEMBL8952176

SCHEMBL8952176

C/C(=N\c1c(C)cccc1C)Nc1c(C)cccc1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.65
GRIN2D O15399 2/20 0.65
GRIN3B O60391 2/20 0.65
GRIN1 Q05586 2/20 0.65
GRIN2A Q12879 2/20 0.65
GRIN2B Q13224 2/20 0.65
GRIN2C Q14957 2/20 0.65
GRIN3A Q8TCU5 2/20 0.65
POLB P06746 3/20 0.43
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2B P41595 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
NFKB1 P19838 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
SCHEMBL8952178 1.00 SIGMAR1 (0.65) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7430802 0.90 SIGMAR1 (0.61) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4109683 0.82 GRIN2D (0.67) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8952089 0.81 SIGMAR1 (0.69) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8952091 0.81 SIGMAR1 (0.69) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8873943 0.78 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5892472 0.77 GRIN2D (0.56) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7870796 0.74 GRIN2D (0.57) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7937887 0.74 GRIN2D (0.57) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4351696 0.73 SIGMAR1 (0.50) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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 2 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 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