SCHEMBL9868901

SCHEMBL9868901

CN1CCC2(CC1)CC(Br)=NO2

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.35
CHRNA7 P36544 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
SCHEMBL22731662 0.80 CYP2D6 (0.35)
SCHEMBL20761563 0.77 SIGMAR1 (0.36) SIGMAR1
SCHEMBL22719858 0.75 GPR119 (0.31)
SCHEMBL12901515 0.75 CYP3A4 (0.43)
SCHEMBL9869102 0.74
SCHEMBL14534168 0.74 CRBN (0.40) SIGMAR1
SCHEMBL20762592 0.73 SIGMAR1 (0.31) SIGMAR1
SCHEMBL27105201 0.73
SCHEMBL12901469 0.72 GPR119 (0.49)
SCHEMBL25159789 0.72 GPR119 (0.37) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5073560-A SPIRO-ISOXAZOLIDINE DERIVATIVES AS CHOLINERGIC AGENTS FISONS CORPORATION (US) 1991-12-17 US disclosed