SCHEMBL8528768

SCHEMBL8528768

Oc1c(I)ccc2c1CC(N1CCC(c3ccccc3)CC1)C(O)C2

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 10/20 0.65
▸ CYP2D6 P10635 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ SIGMAR1 Q99720 1/20 0.52

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
SCHEMBL8528762 1.00 SLC18A3 (0.65) SLC18A3CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL8526367 0.87 SLC18A3 (0.70) SLC18A3CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL8526366 0.87 SLC18A3 (0.70) SLC18A3CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL8527217 0.85 SLC18A3 (0.75) SLC18A3
SCHEMBL8527215 0.85 SLC18A3 (0.75) SLC18A3
SCHEMBL21104710 0.85 SLC18A3 (0.75) SLC18A3
SCHEMBL8527570 0.83 SLC18A3 (0.68) SLC18A3CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL8527573 0.83 SLC18A3 (0.68) SLC18A3CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL8526426 0.81 SLC18A3 (0.76) SLC18A3
SCHEMBL8526424 0.81 SLC18A3 (0.76) SLC18A3

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 claimed
EP-0648130-A1 RADIOIODINATED BENZOVESAMICOL ANALOGS FOR CHOLINERGIC NERVE MAPPING THE UNIVERSITY OF MICHIGAN (US) 1995-04-19 — — EP claimed
EP-0648130-A4 RADIOIODINATED BENZOVESAMICOL ANALOGS FOR CHOLINERGIC NERVE MAPPING. UNIV MICHIGAN (US) 1994-01-26 — — EP claimed
WO-1991017776-A1 RADIOIODINATED BENZOVESAMICOL ANALOGS FOR CHOLINERGIC NERVE MAPPING THE UNIVERSITY OF MICHIGAN (US) 1991-11-28 — — WO claimed
EP-0648130-B1 RADIOIODINATED BENZOVESAMICOL ANALOGS FOR CHOLINERGIC NERVE MAPPING UNIV MICHIGAN (US) 1998-12-30 — — EP disclosed
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