SCHEMBL4743899

SCHEMBL4743899

CCOC(=O)c1nc(C)oc1-c1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 5/20 0.64
GABRA2 P47869 4/20 0.51
GABRB2 P47870 4/20 0.51
ALOX5 P09917 2/20 0.50
MAPT P10636 3/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
HSD17B10 Q99714 1/20 0.48
ALPL P05186 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP19A1 P11511 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PDCD4 Q53EL6 1/20 0.46

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
SCHEMBL4742423 0.89 TARBP2 (0.62) TARBP2GABRA2GABRB2MAPTTRPM8
SCHEMBL18003815 0.88 TARBP2 (0.78) TARBP2GABRA2GABRB2ALOX5MAPT
SCHEMBL4738984 0.86 GABRA2 (0.51) TARBP2GABRA2GABRB2MAPTTRPM8
SCHEMBL1968359 0.86 TARBP2 (0.59) TARBP2GABRA2GABRB2MAPTTRPM8
SCHEMBL13056699 0.85 TARBP2 (0.64) TARBP2GABRA2GABRB2MAPTHSD17B10
SCHEMBL4786522 0.84 ALOX5 (0.55) TARBP2GABRA2GABRB2ALOX5MAPT
SCHEMBL4742519 0.83 MAPT (0.52) TARBP2MAPTKDM4EPDCD4
SCHEMBL18003564 0.82 TARBP2 (0.70) TARBP2GABRA2GABRB2ALOX5MAPT
SCHEMBL15507362 0.81 RAB9A (0.47) TARBP2MAPTHSD17B10KDM4EALDH1A1
SCHEMBL1167143 0.81 NPC1 (0.45) TARBP2GABRA2GABRB2ALOX5KDM4E

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-2008087611-A2 PYRROLIDINE- AND PIPERIDINE- BIS-AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-24 WO disclosed