SCHEMBL8435485

SCHEMBL8435485

OC1CCN(Cc2ccc(Br)cc2)CC1N1CCC(c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 4/20 0.79
SIGMAR1 Q99720 3/20 0.79

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
SCHEMBL4476807 0.84 MEN1 (0.63) SLC18A3SIGMAR1
SCHEMBL8522225 0.82 SLC18A3 (0.69) SLC18A3SIGMAR1
SCHEMBL20148958 0.78 ACHE (0.60) SLC18A3SIGMAR1
SCHEMBL6701595 0.77 KMT2A (0.65) SLC18A3SIGMAR1
SCHEMBL4485265 0.76 CNR2 (0.60) SLC18A3
SCHEMBL5428009 0.75 BCHE (0.52) SLC18A3SIGMAR1
SCHEMBL4592206 0.75 BCHE (0.52) SLC18A3SIGMAR1
SCHEMBL8436977 0.74 SLC18A3 (0.66) SLC18A3SIGMAR1
SCHEMBL6042732 0.74 RORC (0.58) SLC18A3SIGMAR1
SCHEMBL6023725 0.73 MEN1 (0.68) SLC18A3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5876694-A NON-INVASIVELY MAPPING CHOLINERGIC INNERVATION IN A LIVING BRAIN COMPRISES INJECTING THE BRAIN WITH A RADIOLABELLED VESAMICOL DERIVATIVE, MAGNETIC RESONANCE IMAGING REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1999-03-02 US disclosed
US-5789420-A Azavesamicols REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1998-08-04 US disclosed
EP-0643696-A1 AZAVESAMICOLS THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1995-03-22 EP disclosed
EP-0643696-A4 AZAVESAMICOLS. UNIV MINNESOTA (US) 1995-01-20 EP disclosed
US-5338852-A Azavesamicols REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1994-08-16 US disclosed
WO-1993024457-A1 AZAVESAMICOLS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1993-12-09 WO disclosed