SCHEMBL8952091

SCHEMBL8952091

CC(=Nc1ccccc1C)Nc1c(C)cccc1C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.69
GRIN2D O15399 5/20 0.49
GRIN3B O60391 5/20 0.49
GRIN1 Q05586 5/20 0.49
GRIN2A Q12879 5/20 0.49
GRIN2B Q13224 5/20 0.49
GRIN2C Q14957 5/20 0.49
GRIN3A Q8TCU5 5/20 0.49
MEN1 O00255 1/20 0.49
PABPC1 P11940 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
EBP Q15125 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
ESR2 Q92731 2/20 0.43
ESR1 P03372 1/20 0.43
CYP2C9 P11712 1/20 0.42
POLB P06746 2/20 0.41
DRD2 P14416 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
SCHEMBL8952089 1.00 SIGMAR1 (0.69) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7430802 0.93 SIGMAR1 (0.61) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19193594 0.81 SIGMAR1 (0.69) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7438015 0.81 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL169626 0.81 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8952178 0.81 SIGMAR1 (0.65) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8952176 0.81 SIGMAR1 (0.65) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9227594 0.80 SIGMAR1 (0.70) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17715877 0.79 SIGMAR1 (0.65) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29353581 0.79 SIGMAR1 (0.65) 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