SCHEMBL7294304

SCHEMBL7294304

CC(=O)OC1C[N+]2(Cc3ccccc3)CCC1CC2

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.67
CHRM2 P08172 18/20 0.67
CHRM1 P11229 11/20 0.60

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
SCHEMBL12237336 0.82 NPSR1 (0.48) CHRM3CHRM2CHRM1
SCHEMBL8241693 0.81 CHRM3 (0.56) CHRM3CHRM2CHRM1
SCHEMBL19884933 0.81 CHRM3 (0.98) CHRM3CHRM2CHRM1
SCHEMBL231023 0.79 CHRM3 (0.58) CHRM3CHRM2CHRM1
SCHEMBL14197416 0.79 CHRM3 (0.58) CHRM3CHRM2CHRM1
SCHEMBL5007265 0.79 CHRM2 (0.80) CHRM3CHRM2CHRM1
SCHEMBL231024 0.79 CHRM3 (0.58) CHRM3CHRM2CHRM1
SCHEMBL5702658 0.78 CHRM3 (0.54) CHRM3CHRM2CHRM1
SCHEMBL10147601 0.78 CHRM3 (0.74) CHRM3CHRM2CHRM1
SCHEMBL5007267 0.77 CHRM3 (0.55) CHRM3CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0347987-A2 Tripeptide renin inhibitors with N-terminal carbamoyl or acyl groups MERCK & CO. INC. (US) 1989-12-27 EP claimed
EP-0347987-A2 Tripeptide renin inhibitors with N-terminal carbamoyl or acyl groups MERCK & CO. INC. (US) 1989-12-27 EP disclosed