SCHEMBL10817618

SCHEMBL10817618

O=C(O[C@@H]1CN2CCC1CC2)[C@@](O)(c1ccccc1)c1ccc(I)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.86
CHRM1 P11229 4/20 0.86
CHRM3 P20309 4/20 0.86
CHRM4 P08173 1/20 0.86
CHRM5 P08912 1/20 0.86
ALDH1A1 P00352 1/20 0.61
TSHR P16473 1/20 0.61
MAPK1 P28482 1/20 0.61

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
SCHEMBL9146124 1.00 CHRM2 (0.86) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL9145154 1.00 CHRM2 (0.86) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL8529194 1.00 CHRM2 (0.86) CHRM2CHRM1CHRM3CHRM4CHRM5
Quinuclidinyl Benzilate SCHEMBL59698 0.93 CHRM2 (1.00) CHRM2CHRM1CHRM3CHRM4CHRM5
Quinuclidinyl Benzilate SCHEMBL241173 0.93 CHRM2 (1.00) CHRM2CHRM1CHRM3CHRM4CHRM5
Quinuclidinyl Benzilate SCHEMBL29433215 0.91 CHRM2 (0.97) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL10814164 0.88 CHRM2 (0.86) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL9148881 0.88 CHRM2 (0.86) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL9848226 0.88 CHRM2 (0.86) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL9146007 0.88 CHRM2 (0.86) CHRM2CHRM1CHRM3CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0052645-B1 GAMMA-EMITTING RECEPTOR-BINDING QUINUCLIDINYL BENZILATES METHODS OF PREPARATION THEREOF AND IMAGING AND ASSAY METHODS UTILIZING SAME Research Corporation (US) 1987-05-13 EP disclosed
EP-0097647-A4 GAMMA-EMITTING RECEPTOR-BINDING 3-QUINUCLIDINYL GLYCOLATES: METHODS OF PREPARATION THEREOF AND IMAGING AND ASSAY METHODS UTILIZING SAME. RESEARCH CORP (US) 1985-11-07 EP disclosed
US-4431627-A Gamma-emitting receptor-binding 3-quinuclidinyl glycolates; methods of preparation thereof and imaging and assay methods utilizing same RESEARCH CORPORATION (US) 1984-02-14 US disclosed
EP-0097647-A1 GAMMA-EMITTING RECEPTOR-BINDING 3-QUINUCLIDINYL GLYCOLATES: METHODS OF PREPARATION THEREOF AND IMAGING AND ASSAY METHODS UTILIZING SAME Research Corporation (US) 1984-01-11 EP disclosed
WO-1983002229-A1 GAMMA-EMITTING RECEPTOR-BINDING 3-QUINUCLIDINYL GLYCOLATES: METHODS OF PREPARATION THEREOF AND IMAGING AND ASSAY METHODS UTILIZING SAME RESEARCH CORP (US) 1983-07-07 WO disclosed
EP-0052645-A4 GAMMA-EMITTING RECEPTOR-BINDING QUINUCLIDINYL BENZILATES METHODS OF PREPARATION THEREOF AND IMAGING AND ASSAY METHODS UTILIZING SAME. RESEARCH CORP (US) 1983-03-29 EP disclosed
EP-0052645-A1 GAMMA-EMITTING RECEPTOR-BINDING QUINUCLIDINYL BENZILATES METHODS OF PREPARATION THEREOF AND IMAGING AND ASSAY METHODS UTILIZING SAME. RESEARCH CORP (US) 1982-06-02 EP disclosed
WO-1981003422-A1 GAMMA-EMITTING RECEPTOR-BINDING QUINUCLIDINYL BENZILATES;METHODS OF PREPARATION THEREOF AND IMAGING AND ASSAY METHODS UTILIZING SAME RESEARCH CORP (US) 1981-12-10 WO disclosed