SCHEMBL8928426

SCHEMBL8928426

Cc1cc2c(s1)-n1c(C)nnc1CN=C2c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.59
GABRA5 P31644 3/20 0.59
GABRA2 P47869 3/20 0.59
GABRB2 P47870 3/20 0.59
OPRK1 P41145 2/20 0.59
BRD4 O60885 2/20 0.59
LMNA P02545 1/20 0.59
HPGD P15428 1/20 0.59
CNR1 P21554 1/20 0.59
GABRA3 P34903 1/20 0.59
PTAFR P25105 14/20 0.58
PDE4D Q08499 1/20 0.56

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
SCHEMBL8928436 0.86 OPRK1 (0.77) GABRA1GABRA5GABRA2GABRB2OPRK1
SCHEMBL8928433 0.85 PTAFR (0.79) GABRA1GABRA5GABRA2GABRB2OPRK1
SCHEMBL8928600 0.85 OPRK1 (0.47) GABRA1GABRA5GABRA2GABRB2OPRK1
Bicarbonate SCHEMBL10510835 0.83 PTAFR (0.72) GABRA1GABRA5GABRA2OPRK1GABRA3
SCHEMBL2442196 0.81 GABRA1 (0.57) GABRA1GABRA5GABRA2GABRB2OPRK1
SCHEMBL9663031 0.81 PTAFR (0.62) GABRA1GABRA5GABRA2GABRB2OPRK1
SCHEMBL7324237 0.78 BRD4 (0.81) GABRA1GABRA5GABRA2GABRB2OPRK1
SCHEMBL9038947 0.78 BRD4 (0.50) GABRA1GABRA5GABRA2GABRB2OPRK1
SCHEMBL11509934 0.76 PTAFR (0.79) GABRA1GABRA5GABRA2OPRK1GABRA3
SCHEMBL8320646 0.75 BRD4 (0.36) GABRA1GABRA5GABRA2GABRB2OPRK1

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