SCHEMBL7925288

SCHEMBL7925288

NC(=NC12CC3CC(CC(C3)C1)C2)N(NC12CC3CC(CC(C3)C1)C2)C(=NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 15/20 0.55
EPHX2 P34913 3/20 0.36
EPHX1 P07099 1/20 0.36
AR P10275 1/20 0.34
KCNH2 Q12809 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33

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
SCHEMBL6155755 0.78 SIGMAR1 (0.61) SIGMAR1EPHX2EPHX1ARKCNH2
SCHEMBL17710474 0.73 SIGMAR1 (0.54) SIGMAR1EPHX2EPHX1ARKCNH2
SCHEMBL6724127 0.72 SIGMAR1 (0.52) SIGMAR1EPHX2EPHX1
SCHEMBL6156054 0.72 SIGMAR1 (1.00) SIGMAR1EPHX2EPHX1ARKCNH2
Hydrochloric Acid SCHEMBL6158171 0.71 SIGMAR1 (1.00) SIGMAR1EPHX2EPHX1ARKCNH2
SCHEMBL2740883 0.68 SIGMAR1 (0.66) SIGMAR1EPHX2EPHX1GRIN2DGRIN3B
SCHEMBL6154324 0.66 EPHX2 (0.44) SIGMAR1EPHX2
SCHEMBL6155548 0.66 SIGMAR1 (0.62) SIGMAR1EPHX2EPHX1ARKCNH2
SCHEMBL6155761 0.65 SIGMAR1 (0.67) SIGMAR1EPHX2EPHX1ARKCNH2
SCHEMBL3073550 0.65 SIGMAR1 (1.00) SIGMAR1EPHX2EPHX1GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242198-B1 ADMINISTERING GUANIDINE COMPOUND CAMBRIDGE NEUROSCIENCE, INC. 2001-06-05 US disclosed