SCHEMBL7344200

SCHEMBL7344200

CC1CCC(c2ccccc2)(N2CCCCC2)CC1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.69
GRIN1 Q05586 2/20 0.69
GRIN2A Q12879 2/20 0.69
GRIN2B Q13224 2/20 0.69
GRIN2D O15399 1/20 0.69
GRIN3B O60391 1/20 0.69
CYP2B6 P20813 1/20 0.69
SLC6A2 P23975 1/20 0.69
SLC6A4 P31645 1/20 0.69
PRCP P42785 1/20 0.69
SLC6A3 Q01959 1/20 0.69
KCNH2 Q12809 1/20 0.69
GRIN2C Q14957 1/20 0.69
GRIN3A Q8TCU5 1/20 0.69
OPRM1 P35372 2/20 0.67
OPRD1 P41143 1/20 0.67
NPY1R P25929 1/20 0.49
OPRL1 P41146 2/20 0.45
SLC6A9 P48067 1/20 0.45

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
SCHEMBL7344204 1.00 SIGMAR1 (0.69) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL1764442 0.87 SIGMAR1 (0.69) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D
Hydrochloric Acid SCHEMBL28605245 0.85 OPRM1 (0.70) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL28282384 0.84 GRIN1 (0.88) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL4049565 0.83 SIGMAR1 (0.69) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL1262555 0.83 SIGMAR1 (0.69) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL8357591 0.83 NPY1R (0.68) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL9153279 0.82 SIGMAR1 (1.00) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D
Rolicyclidine SCHEMBL517928 0.82 SIGMAR1 (1.00) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D
Phencyclidine SCHEMBL42022 0.82 SIGMAR1 (1.00) SIGMAR1GRIN1GRIN2AGRIN2BGRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114381-A TO CONTROL BRAIN DAMAGE ASSOCIATED WITH ANOXIA OR ISCHEMIA WHICH TYPICALLY FOLLOWS STROKE, CARDIAC ARREST OR PERINATAL ASPHYXIA; COMPOUND IS AN ANTAGONIST TO INHIBIT EXCITOTOXIC ACTIONS AT EXCITATORY AMINO ACID RECEPTOR SITES G. D. SEARLE & CO. (US) 2000-09-05 US disclosed
US-5604255-A N-(1-thienylcycloalkyl)alkenylamines for treatment of neurotoxic injury THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-02-18 US disclosed
US-5401755-A Related to ischemic, hypoxic or anoxic conditions, reducing brain damage G. D. SEARLE & CO. (US) 1995-03-28 US disclosed
EP-0346791-B1 1,2-diarylethylamines for treatment of neurotoxic injury SEARLE & CO (US) 1994-04-06 EP disclosed
US-4945097-A THERAPY FOR ANOXIA, HYPOXIA, OR ISCHEMIA G. D. SEARLE & CO. (US) 1990-07-31 US disclosed
EP-0346791-A1 1,2-diarylethylamines for treatment of neurotoxic injury G.D. Searle & Co. (US) 1989-12-20 EP disclosed
US-4837218-A CONTROLLING BRAIN DAMAGE FROM ANOXIA OR ISCHEMIA WASHINGTON UNIVERSITY (US) 1989-06-06 US disclosed
EP-0317953-A2 N-(1-thienylcycloalkyl)alkenylamines for treatment of neurotoxic injury G.D. Searle & Co. (US) 1989-05-31 EP disclosed
US-4833138-A Phenothiazinealkaneamines for treatment of neurotoxic injury WASHINGTON UNIVERSITY (US) 1989-05-23 US disclosed