SCHEMBL8952174

SCHEMBL8952174

CC(=Nc1ccccc1[N+](=O)[O-])NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.47
SIGMAR1 Q99720 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PAX8 Q06710 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
FAAH O00519 2/20 0.42
CNR2 P34972 2/20 0.41
EPHX2 P34913 2/20 0.40
CNR1 P21554 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
POLB P06746 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
SCHEMBL8952173 1.00 PLAU (0.47) PLAUSIGMAR1L3MBTL1MEN1KMT2A
SCHEMBL6724185 0.85 SIGMAR1 (0.54) PLAUSIGMAR1L3MBTL1MEN1KMT2A
SCHEMBL7443927 0.79 SIGMAR1 (0.49) SIGMAR1MEN1KMT2AGRIN2DGRIN3B
SCHEMBL7443919 0.79 SIGMAR1 (0.49) SIGMAR1MEN1KMT2AGRIN2DGRIN3B
SCHEMBL7492189 0.78 SIGMAR1 (0.46) SIGMAR1MEN1KMT2AFAAHCNR2
SCHEMBL8952127 0.75 SIGMAR1 (0.44) SIGMAR1MEN1KMT2AGRIN2DGRIN3B
SCHEMBL8952146 0.74 SIGMAR1 (0.51) SIGMAR1MEN1KMT2AFAAHCNR2
SCHEMBL8952147 0.74 SIGMAR1 (0.51) SIGMAR1MEN1KMT2AFAAHCNR2
SCHEMBL6724175 0.71 SIGMAR1 (0.58) SIGMAR1L3MBTL1MEN1KMT2APAX8
SCHEMBL8866289 0.70 SIGMAR1 (0.56) SIGMAR1L3MBTL1MEN1KMT2APAX8

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