SCHEMBL8952147

SCHEMBL8952147

CC(=Nc1ccccc1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.51
FAAH O00519 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
EPHX2 P34913 6/20 0.49
CNR2 P34972 3/20 0.47
MAPK1 P28482 1/20 0.47
EPHX1 P07099 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL8952146 1.00 SIGMAR1 (0.51) SIGMAR1FAAHMEN1KMT2AEPHX2
SCHEMBL6724211 0.81 SIGMAR1 (0.58) SIGMAR1FAAHMEN1KMT2AEPHX2
SCHEMBL7443919 0.80 SIGMAR1 (0.49) SIGMAR1FAAHMEN1KMT2AEPHX2
SCHEMBL7443927 0.80 SIGMAR1 (0.49) SIGMAR1FAAHMEN1KMT2AEPHX2
SCHEMBL7492189 0.79 SIGMAR1 (0.46) SIGMAR1FAAHMEN1KMT2AEPHX2
SCHEMBL8952127 0.77 SIGMAR1 (0.44) SIGMAR1FAAHMEN1KMT2AEPHX2
SCHEMBL8952173 0.74 PLAU (0.47) SIGMAR1FAAHMEN1KMT2AEPHX2
SCHEMBL8952174 0.74 PLAU (0.47) SIGMAR1FAAHMEN1KMT2AEPHX2
SCHEMBL8952148 0.71 EPHX2 (0.49) FAAHKMT2AEPHX2CNR2CNR1
SCHEMBL9440893 0.70 SIGMAR1 (0.50) SIGMAR1FAAHMEN1KMT2AEPHX2

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