SCHEMBL7429044

SCHEMBL7429044

CCC1CCCN1C.CNCCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 18/20 0.58

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
SCHEMBL5935284 0.96 SIGMAR1 (0.60) SIGMAR1
SCHEMBL234072 0.77 SIGMAR1 (0.67) SIGMAR1
SCHEMBL5935208 0.73 SIGMAR1 (1.00) SIGMAR1
SCHEMBL7429031 0.73 SIGMAR1 (0.74) SIGMAR1
SCHEMBL7442708 0.71 SIGMAR1 (1.00) SIGMAR1
SCHEMBL5935280 0.70 SIGMAR1 (0.80) SIGMAR1
SCHEMBL5935226 0.70 SIGMAR1 (0.93) SIGMAR1
SCHEMBL5935268 0.69 SIGMAR1 (0.91) SIGMAR1
SCHEMBL5935249 0.69 SIGMAR1 (0.79) SIGMAR1
SCHEMBL9242412 0.69 CHRNB4 (0.65)

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-5571832-A Nitrogen-containing cyclohetero alkylamino aryl derivatives for CNS disorders THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-11-05 US disclosed