SCHEMBL8984028

SCHEMBL8984028

OC1CCN(Cc2ccccc2I)CC1N1CC[13C]2(CCCc3ccccc32)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.64
SLC18A3 Q16572 6/20 0.64

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
Hydrochloric Acid SCHEMBL8984045 0.93 SLC18A3 (0.70) SIGMAR1SLC18A3
SCHEMBL8984066 0.86 SIGMAR1 (0.73) SIGMAR1SLC18A3
Hydrochloric Acid SCHEMBL8984037 0.80 SIGMAR1 (0.80) SIGMAR1SLC18A3
Hydrochloric Acid SCHEMBL8984081 0.77 SLC18A3 (0.98) SIGMAR1SLC18A3
Hydrochloric Acid SCHEMBL8984084 0.77 SLC18A3 (0.48) SIGMAR1SLC18A3
Hydrochloric Acid SCHEMBL8984040 0.77 SIGMAR1 (0.85) SIGMAR1SLC18A3
Oxalic Acid SCHEMBL9153295 0.73 SLC18A3 (0.91) SIGMAR1SLC18A3
Hydrochloric Acid SCHEMBL8984057 0.71 SIGMAR1 (0.63) SIGMAR1SLC18A3
Hydrochloric Acid SCHEMBL8984098 0.71 SIGMAR1 (0.97) SIGMAR1SLC18A3
SCHEMBL11701139 0.68 SIGMAR1 (0.57) SIGMAR1SLC18A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5554752-A SPIRO FUSED PIPERIDINES CAPABLE OF BINDING TO A VESAMICOL RECEPTOR AND HAVING ANTICHOLINERGIC PROPERTIES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1996-09-10 US disclosed
US-5457207-A Anticholinergic agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1995-10-10 US disclosed
WO-1995009631-A1 SPIROVESAMICOLS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1995-04-13 WO disclosed