SCHEMBL8528754

SCHEMBL8528754

O=C(ON1CCC(c2ccccc2)CC1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 11/20 0.46
SIGMAR1 Q99720 2/20 0.44
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
SPR P35270 1/20 0.42
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BACE1 P56817 1/20 0.42

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
SCHEMBL381670 0.89 MMP3 (0.50) KCNH2HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL10006606 0.86 MEN1 (0.39) KCNH2NPC1RAB9AATMSMN1; SMN2
SCHEMBL27488566 0.84 RIPK1 (0.51) SLC18A3SIGMAR1KCNH2HRH3
SCHEMBL16755915 0.83 CYP11B2 (0.48) KCNH2SPR
SCHEMBL942295 0.82 EPHX2 (0.47) HRH3CYP2C9
SCHEMBL27604008 0.81 SLC18A3 (0.58) SLC18A3SIGMAR1KCNH2HRH3CYP2D6
SCHEMBL29111290 0.79 SLC18A3 (0.57) SLC18A3SIGMAR1KCNH2HRH3NPC1
SCHEMBL9024555 0.79 DRD4 (0.43) SPR
Hydrochloric Acid SCHEMBL27976831 0.78 AKR1C3 (0.46) SLC18A3SIGMAR1KCNH2HRH3NPC1
SCHEMBL571141 0.78 KDM1A (0.60) KCNH2HRH3NPC1RAB9AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648130-B1 RADIOIODINATED BENZOVESAMICOL ANALOGS FOR CHOLINERGIC NERVE MAPPING UNIV MICHIGAN (US) 1998-12-30 EP disclosed
EP-0648130-A1 RADIOIODINATED BENZOVESAMICOL ANALOGS FOR CHOLINERGIC NERVE MAPPING THE UNIVERSITY OF MICHIGAN (US) 1995-04-19 EP disclosed
EP-0648130-A4 RADIOIODINATED BENZOVESAMICOL ANALOGS FOR CHOLINERGIC NERVE MAPPING. UNIV MICHIGAN (US) 1994-01-26 EP disclosed
US-5077035-A Scintigraphic imaging of brain; Alzheimer*s diagnosis THE UNIVERSITY OF MICHIGAN (US) 1991-12-31 US disclosed
WO-1991017776-A1 RADIOIODINATED BENZOVESAMICOL ANALOGS FOR CHOLINERGIC NERVE MAPPING THE UNIVERSITY OF MICHIGAN (US) 1991-11-28 WO disclosed