SCHEMBL8996700

SCHEMBL8996700

Cc1c(F)ccc(NC(=N)NC23CC4CC(CC(C4)C2)C3)c1F

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 16/20 0.55
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL6717396 0.78 EPHX2 (0.48) EPHX2
SCHEMBL6155754 0.75 SIGMAR1 (0.55) EPHX2LMNAMAPTNPSR1
SCHEMBL6719597 0.74 CNR2 (0.45) EPHX2LMNAMAPTNPSR1
Guanidine SCHEMBL9516168 0.72 SIGMAR1 (0.56) EPHX2
SCHEMBL6727849 0.72 EPHX2 (0.41) EPHX2
SCHEMBL18423981 0.71 EPHX2 (1.00) EPHX2
SCHEMBL30294791 0.71 EPHX2 (1.00) EPHX2
SCHEMBL18464994 0.71 EPHX2 (1.00) EPHX2
SCHEMBL6158255 0.70 SIGMAR1 (0.53) EPHX2MAPTNPSR1
SCHEMBL6724437 0.69 EPHX2 (0.46) EPHX2MAPTNPSR1

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-5574070-A Substituted guanidines 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 (US) 1996-11-12 — — US disclosed
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