SCHEMBL27698304

SCHEMBL27698304

CNCCN1CCC(OC(=O)NNc2ccccc2-c2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 18/20 0.64
CARM1 Q86X55 2/20 0.62
PRMT6 Q96LA8 2/20 0.62

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
SCHEMBL266147 0.89 CHRM3 (0.80) CHRM3
SCHEMBL27757609 0.86 CHRM3 (0.62) CHRM3
SCHEMBL27831556 0.82 CHRM3 (0.58) CHRM3
SCHEMBL1922492 0.82 CHRM3 (0.81) CHRM3
Hydrochloric Acid SCHEMBL1922490 0.81 CHRM3 (0.80) CHRM3
SCHEMBL13590238 0.80 CHRM3 (0.87) CHRM3
SCHEMBL27959919 0.79 CHRM3 (0.61) CHRM3
SCHEMBL3540429 0.78 CHRM3 (0.66) CHRM3
SCHEMBL739634 0.78 CHRM3 (1.00) CHRM3
SCHEMBL13590364 0.78 CHRM3 (0.87) CHRM3

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
CN-101163677-B Crystal forms of biphenyl compounds THERAVANCE INC 2012-01-04 CN disclosed
CN-101163677-A Crystal forms of biphenyl compounds THERAVANCE INC (US) 2008-04-16 CN disclosed