SCHEMBL8522225

SCHEMBL8522225

OC1CN(Cc2ccccc2)CCC1N1CCC(c2ccccc2)CC1

nearest known ligand 0.97

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 7/20 0.69
SIGMAR1 Q99720 3/20 0.69
CYP2D6 P10635 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
TSHR P16473 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL2187939 0.86 SLC18A3 (0.76) SLC18A3SIGMAR1CYP2D6CYP1A2
SCHEMBL2187946 0.86 SLC18A3 (0.76) SLC18A3SIGMAR1CYP2D6CYP1A2
SCHEMBL2187943 0.86 SLC18A3 (0.76) SLC18A3SIGMAR1CYP2D6CYP1A2
SCHEMBL2191623 0.85 SLC18A3 (0.74) SLC18A3SIGMAR1
SCHEMBL2191616 0.85 SLC18A3 (0.74) SLC18A3SIGMAR1
SCHEMBL2191620 0.85 SLC18A3 (0.74) SLC18A3SIGMAR1
SCHEMBL8435485 0.82 SLC18A3 (0.79) SLC18A3SIGMAR1
SCHEMBL6023725 0.81 MEN1 (0.68) SLC18A3SIGMAR1CYP2D6CYP1A2TSHR
SCHEMBL22755777 0.81 MEN1 (0.68) SLC18A3SIGMAR1CYP2D6CYP1A2TSHR
SCHEMBL3598146 0.81 MEN1 (0.68) SLC18A3SIGMAR1CYP2D6CYP1A2TSHR

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