SCHEMBL9058735

SCHEMBL9058735

Cc1ccc2c(c1)[nH]c(=O)n2C1CCN(C2CCNCC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 16/20 0.63
CHRM2 P08172 6/20 0.63
CHRM4 P08173 6/20 0.63
CHRM3 P20309 5/20 0.63
CHRM5 P08912 4/20 0.63
KCNH2 Q12809 2/20 0.63
OPRM1 P35372 1/20 0.56
DRD2 P14416 4/20 0.50
ADRA1D P25100 1/20 0.50
HTR2C P28335 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50

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
Hydrochloric Acid SCHEMBL8863368 0.99 CHRM1 (0.61) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL1760904 0.92 OPRM1 (0.57) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL8672729 0.88 CHRM1 (0.63) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL5482356 0.85 CHRM1 (0.67) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL8349502 0.84 OPRM1 (0.61) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL3414573 0.84 CHRM1 (0.53) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL14365466 0.83 CHRM1 (0.70) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL13823764 0.83 OPRM1 (0.61) CHRM1CHRM2CHRM4CHRM3CHRM5
Trifluoroacetic Acid SCHEMBL15574954 0.82 OPRM1 (0.48) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL3710702 0.82 CHRM1 (0.78) CHRM1CHRM2CHRM4CHRM3CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996013262-A1 MUSCARINE ANTAGONISTS MERCK & CO., INC. (US) 1996-05-09 WO disclosed