SCHEMBL8952256

SCHEMBL8952256

CC(=Nc1ccccc1I)NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.41
SIGMAR1 Q99720 3/20 0.40
KMT2A Q03164 1/20 0.39
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
HSD11B1 P28845 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL7438390 0.84 SIGMAR1 (0.49) EPHX2SIGMAR1KMT2AGRIN2DGRIN3B
SCHEMBL7438385 0.84 SIGMAR1 (0.49) EPHX2SIGMAR1KMT2AGRIN2DGRIN3B
SCHEMBL6158188 0.83 SIGMAR1 (0.50) EPHX2SIGMAR1KMT2AGRIN2DGRIN3B
SCHEMBL8952148 0.79 EPHX2 (0.49) EPHX2KMT2AHSD11B1CNR1CNR2
SCHEMBL7492189 0.74 SIGMAR1 (0.46) EPHX2SIGMAR1KMT2ACNR2
SCHEMBL6155006 0.69 SIGMAR1 (0.50) EPHX2SIGMAR1KMT2AGRIN2DGRIN3B
SCHEMBL7441850 0.68 MEN1 (0.48) EPHX2SIGMAR1KMT2AGRIN2DGRIN3B
SCHEMBL15359829 0.67 SIGMAR1 (0.44) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6158181 0.67 SIGMAR1 (0.53) EPHX2SIGMAR1KMT2AHSD11B1
SCHEMBL8873648 0.66 SIGMAR1 (0.49) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1

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