SCHEMBL7399616

SCHEMBL7399616

O=[N+]([O-])c1cc(I)c2oc(C3=CN4CCC3CC4)cc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 20/20 1.00
▸ CHRM4 P08173 20/20 1.00
▸ CHRM5 P08912 20/20 1.00
▸ CHRM1 P11229 20/20 1.00
▸ CHRM3 P20309 20/20 1.00

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
SCHEMBL7399620 0.76 CHRM2 (0.61) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16650904 0.73 CHRM2 (0.57) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1060892 0.71 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18152742 0.70 MAOA (0.56) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7399973 0.69 CHRM2 (1.00) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1062439 0.65 CHRM2 (0.72) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4688548 0.64 CHRM2 (1.00) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1059842 0.59 KMT2A (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12253750 0.59 SLC6A4 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12367629 0.59 CHRM2 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5599937-A Heteroaromatic quinuclidinenes, their use and preparation PHARMACIA AB (SE) 1997-02-04 — — US disclosed
EP-0640082-A1 HETEROAROMATIC QUINUCLIDINENES, THEIR USE AND PREPARATION Pharmacia & Upjohn Aktiebolag (SE) 1995-03-01 — — EP disclosed
WO-1993023395-A1 HETEROAROMATIC QUINUCLIDINENES, THEIR USE AND PREPARATION KABI PHARMACIA AB (SE) 1993-11-25 — — WO disclosed
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