SCHEMBL8928667

SCHEMBL8928667

CCc1cc2c(s1)-n1c(nnc1N(C)C(=O)c1cc3ccccc3n1CC(=O)O)CN=C2c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.44
PDE4D Q08499 1/20 0.44
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CCKAR P32238 1/20 0.37
PTAFR P25105 9/20 0.37
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
BRD4 O60885 2/20 0.36
HPGD P15428 3/20 0.35
LMNA P02545 1/20 0.35
GABRA1 P14867 1/20 0.35
CNR1 P21554 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CCR2 P41597 1/20 0.35

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
SCHEMBL8928732 0.95 OPRK1 (0.44) OPRK1PDE4DMEN1KMT2ACCKAR
SCHEMBL8928440 0.91 OPRK1 (0.55) OPRK1PDE4DMEN1KMT2ACCKAR
SCHEMBL8928668 0.86 PTAFR (0.38) OPRK1PDE4DMEN1KMT2ACCKAR
SCHEMBL8928672 0.85 OPRK1 (0.43) OPRK1PDE4DMEN1KMT2ACCKAR
SCHEMBL8928631 0.82 MEN1 (0.39) OPRK1MEN1KMT2ACCKARPTAFR
SCHEMBL8928544 0.80 OPRK1 (0.52) OPRK1PDE4DMEN1KMT2APTAFR
SCHEMBL8928869 0.80 L3MBTL1 (0.36) MEN1KMT2ACCKARPTAFRCYP3A4
SCHEMBL8928748 0.79 OPRK1 (0.42) OPRK1PDE4DMEN1KMT2ACCKAR
SCHEMBL8928579 0.77 OPRK1 (0.43) OPRK1PDE4DMEN1KMT2APTAFR
SCHEMBL8928442 0.76 OPRK1 (0.54) OPRK1PDE4DMEN1KMT2ACCKAR

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