SCHEMBL8525818

SCHEMBL8525818

OC1Cc2ccc(I)cc2CC1N1CCC(c2ccccc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 8/20 0.75
▸ CYP2D6 P10635 2/20 0.55
▸ TSHR P16473 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ SIGMAR1 Q99720 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.53
▸ APEX1 P27695 1/20 0.53
▸ BLM P54132 1/20 0.53

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
SCHEMBL8525815 1.00 SLC18A3 (0.75) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL8528072 1.00 SLC18A3 (0.75) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL8528071 1.00 SLC18A3 (0.75) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
Benzovesamicol SCHEMBL30774641 0.86 SLC18A3 (1.00) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
Benzovesamicol SCHEMBL29794132 0.86 SLC18A3 (1.00) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL9173091 0.81 SLC18A3 (0.55) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL8526424 0.79 SLC18A3 (0.76) SLC18A3
SCHEMBL8526426 0.79 SLC18A3 (0.76) SLC18A3
SCHEMBL8528762 0.78 SLC18A3 (0.65) SLC18A3CYP2D6TSHRCYP1A2CYP2C9
SCHEMBL8528768 0.78 SLC18A3 (0.65) SLC18A3CYP2D6TSHRCYP1A2CYP2C9

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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