SCHEMBL7401115

SCHEMBL7401115

COC(=O)c1ccc(C2=CN3CCC2CC3)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 18/20 1.00
▸ CHRM4 P08173 18/20 1.00
▸ CHRM5 P08912 18/20 1.00
▸ CHRM1 P11229 18/20 1.00
▸ CHRM3 P20309 18/20 1.00
▸ FDFT1 P37268 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL7400421 0.86 CHRM2 (1.00) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7396548 0.78 CHRM2 (1.00) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL21981938 0.74 HTT (0.67) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7401081 0.74 CHRM2 (1.00) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7392899 0.71 CHRM2 (1.00) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7276868 0.71 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19539912 0.69 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL10412659 0.69 CHRM2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2303280 0.69 CHRM2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7396408 0.69 CHRM2 (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640082-A1 HETEROAROMATIC QUINUCLIDINENES, THEIR USE AND PREPARATION Pharmacia & Upjohn Aktiebolag (SE) 1995-03-01 — — EP claimed
WO-1993023395-A1 HETEROAROMATIC QUINUCLIDINENES, THEIR USE AND PREPARATION KABI PHARMACIA AB (SE) 1993-11-25 — — WO claimed
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
Send feedback