SCHEMBL7441850

SCHEMBL7441850

CC(=Nc1ccccc1I)NC1CC2CCC1(C)C2(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
EPHX2 P34913 7/20 0.47
SIGMAR1 Q99720 3/20 0.47
CXCR3 P49682 3/20 0.40
CNR1 P21554 3/20 0.38
CNR2 P34972 3/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
CPB2 Q96IY4 1/20 0.38
HSD11B1 P28845 1/20 0.37

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
SCHEMBL7441187 0.87 MEN1 (0.49) MEN1HTTKMT2ASMN1; SMN2NPSR1
SCHEMBL7073661 0.74 SIGMAR1 (0.57) MEN1HTTKMT2ASMN1; SMN2NPSR1
SCHEMBL7441858 0.73 SIGMAR1 (0.48) MEN1HTTKMT2ASMN1; SMN2NPSR1
SCHEMBL3456908 0.69 MEN1 (0.67) MEN1HTTKMT2ASMN1; SMN2NPSR1
SCHEMBL8952256 0.68 EPHX2 (0.41) KMT2AEPHX2SIGMAR1CNR1CNR2
SCHEMBL6314315 0.67 EPHX2 (0.63) MEN1HTTKMT2ASMN1; SMN2NPSR1
SCHEMBL8874311 0.66 EPHX2 (0.51) MEN1HTTKMT2ASMN1; SMN2NPSR1
SCHEMBL7492189 0.65 SIGMAR1 (0.46) MEN1HTTKMT2ANPSR1EPHX2
SCHEMBL7708366 0.65 EPHX2 (0.57) MEN1HTTKMT2ASMN1; SMN2NPSR1
SCHEMBL6154914 0.65 EPHX2 (0.52) MEN1HTTKMT2ASMN1; SMN2NPSR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0551330-A4 SUBSTITUTED AMIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF OREGON STATE (US) 1994-07-06 EP claimed
EP-0551330-A1 SUBSTITUTED AMIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF The STATE OF OREGON acting by and through the STATE BOARD OF HIGHER EDUCATION on behalf of the UNIV. OF OREGON (US) 1993-07-21 EP claimed
WO-1992004054-A1 SUBSTITUTED AMIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF STATE OF OREGON, acting by and through THE OREGON STATE BOARD OF HIGHER EDUCATION, acting for and on behalf of THE OREGON HEALTH SCIENCES UNIVERSITY, PORTLAND, OREGON, and THE UNIVERSITY OF OREGON, EUGENE, OREGON, Johnson Hall, University of Oregon (US) 1992-03-19 WO claimed
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