SCHEMBL21471795

SCHEMBL21471795

C=CCN1CCc2cc(C(O)C3CCCCCC3)sc2-c2ccc(F)cc21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.33
TDO2 P48775 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM3 P20309 1/20 0.32
ALOX5 P09917 1/20 0.32
EPHX2 P34913 1/20 0.32
DPP9 Q86TI2 2/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
PRCP P42785 1/20 0.30
DPP4 P27487 1/20 0.30
DPP8 Q6V1X1 1/20 0.30

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
SCHEMBL21478312 0.80
SCHEMBL21478313 0.80 CHRM2 (0.36) CHRM2CHRM3ALOX5EPHX2
SCHEMBL21458042 0.77 CHRM2 (0.35) CHRM2CHRM3
SCHEMBL21471673 0.76 PER2 (0.30)
SCHEMBL20622402 0.76 HPGD (0.42) CHRM2CHRM3ALOX5EPHX2
SCHEMBL21471792 0.76 CHRM2 (0.36) CHRM2CHRM3
SCHEMBL20599068 0.75 NOTUM (0.46) CHRM2CHRM3
SCHEMBL21471714 0.75 CHRM2 (0.38) CHRM2CHRM3ALOX5EPHX2
SCHEMBL21471675 0.72 ALDH1A1 (0.47) CHRM2CHRM3
SCHEMBL21471683 0.72 CHRM2 (0.36) CHRM2CHRM3

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-2019199908-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2019-10-17 WO disclosed