SCHEMBL8976844

SCHEMBL8976844

O=C1c2ccccc2C(=O)N1[C@H]1CC[C@H](N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 13/20 0.71
CHRM2 P08172 5/20 0.71
CHRM4 P08173 5/20 0.71
CHRM3 P20309 4/20 0.71
ADRA1D P25100 2/20 0.60
ADRA1A P35348 2/20 0.60
ADRA1B P35368 2/20 0.60
SLC18A3 Q16572 1/20 0.59
CHRM5 P08912 3/20 0.58
DRD2 P14416 3/20 0.58
HTR2C P28335 1/20 0.58
OPRM1 P35372 2/20 0.56
OPRK1 P41145 2/20 0.56
OPRL1 P41146 2/20 0.56
OPRD1 P41143 1/20 0.56

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
SCHEMBL8976841 1.00 CHRM1 (0.71) CHRM1CHRM2CHRM4CHRM3ADRA1D
SCHEMBL8976790 0.85 CHRM1 (0.64) CHRM1CHRM2CHRM4CHRM3ADRA1D
SCHEMBL8976895 0.85 OPRM1 (0.72) CHRM1CHRM2CHRM4CHRM3ADRA1D
SCHEMBL8976901 0.85 OPRM1 (0.72) CHRM1CHRM2CHRM4CHRM3ADRA1D
SCHEMBL8976793 0.85 CHRM1 (0.64) CHRM1CHRM2CHRM4CHRM3ADRA1D
SCHEMBL3895786 0.84 CHRM1 (0.92) CHRM1CHRM2CHRM4CHRM3ADRA1D
SCHEMBL8863420 0.84 CHRM1 (0.76) CHRM1CHRM2CHRM4CHRM3ADRA1D
SCHEMBL8863418 0.84 CHRM1 (0.76) CHRM1CHRM2CHRM4CHRM3ADRA1D
SCHEMBL8863399 0.84 CHRM1 (0.76) CHRM1CHRM2CHRM4CHRM3ADRA1D
SCHEMBL8863397 0.84 CHRM1 (0.76) CHRM1CHRM2CHRM4CHRM3ADRA1D

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
WO-1996013262-A1 MUSCARINE ANTAGONISTS MERCK & CO., INC. (US) 1996-05-09 WO claimed
US-5574044-A BENZIMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF MYOPIA MERCK & CO., INC. (US) 1996-11-12 US disclosed
WO-1996013262-A1 MUSCARINE ANTAGONISTS MERCK & CO., INC. (US) 1996-05-09 WO disclosed