SCHEMBL8928556

SCHEMBL8928556

CCc1cc2c(s1)-n1c(nnc1[C@@H](CCC(=O)O)NC(=O)c1ccc(Cl)cc1N)CN=C2c1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.52
PDE4D Q08499 2/20 0.52
PTAFR P25105 17/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
HTR2A P28223 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
ADRA1A P35348 1/20 0.38
GABRA2 P47869 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL8928564 0.86 OPRK1 (0.55) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928380 0.86 OPRK1 (0.55) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928505 0.85 OPRK1 (0.56) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928443 0.84 OPRK1 (0.55) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928661 0.82 OPRK1 (0.63) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928354 0.82 OPRK1 (0.53) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928385 0.82 OPRK1 (0.53) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928470 0.79 PTAFR (0.49) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928395 0.79 OPRK1 (0.56) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928392 0.79 OPRK1 (0.56) OPRK1PDE4DPTAFRCYP3A4ALOX15

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
EP-0776892-A1 THIENYLAZOLE COMPOUND AND THIENOTRIAZOLODIAZEPINE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-06-04 EP disclosed