SCHEMBL7450653

SCHEMBL7450653

OCCN1CCC(COc2ccc(I)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.51
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50

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
SCHEMBL14862577 0.81 CXCR1 (0.50) CARM1PRMT6
SCHEMBL255654 0.79 PARP15 (0.55) SIGMAR1
SCHEMBL28037412 0.78 SIGMAR1 (0.44) SIGMAR1CARM1PRMT6
SCHEMBL28037360 0.78 CHRNB2 (0.54) SIGMAR1CARM1PRMT6
SCHEMBL7450651 0.75 SIGMAR1 (0.42) SIGMAR1
SCHEMBL12649216 0.72 TEAD1 (0.58) SIGMAR1
SCHEMBL22309867 0.72 SLC18A3 (0.41) SIGMAR1CARM1PRMT6
SCHEMBL16299517 0.72 MAOA (0.53)
SCHEMBL14863368 0.71 TDP1 (0.68)
SCHEMBL25975202 0.71 APP (0.41) CARM1PRMT6

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
WO-1996020928-A1 PIPERIDINE-BASED SIGMA RECEPTOR LIGANDS AUSTRALIAN NUCLEAR SCIENCE & TECHNOLOGY ORGANISATION (AU) 1996-07-11 WO disclosed