SCHEMBL7460726

SCHEMBL7460726

CCc1cccc(N(CC)C(N)=Nc2cccc3c2C=CC3)c1.CCc1cccc(N(CC)C(N)=Nc2cccc3c2CCC3)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 20/20 0.52
TP53 P04637 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
THPO P40225 1/20 0.40
MTOR P42345 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PMP22 Q01453 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL9232760 0.95 SIGMAR1 (0.48) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL6717016 0.92 SIGMAR1 (0.61) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL6724971 0.91 SIGMAR1 (0.62) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL6720814 0.80 SIGMAR1 (0.62) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL6717077 0.79 SIGMAR1 (0.63) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL6721289 0.78 SIGMAR1 (0.51) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL6717422 0.77 SIGMAR1 (0.49) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL8334142 0.76 SIGMAR1 (0.43) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL7460721 0.74 LMNA (0.39) SIGMAR1TSHRMEN1LMNAKMT2A
SCHEMBL6719451 0.72 SIGMAR1 (0.49) SIGMAR1

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-5798390-A Tri- and tetra-substituted guanidines and their use as excitatory amino acid antagonists 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 AND THE UNIVERSITY OF OREGON (US) 1998-08-25 US disclosed
US-5336689-A Treating diseases of the nervous system; neuroprotective 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 AND THE UNIVERSITY OF OREGON (US) 1994-08-09 US disclosed