SCHEMBL8318693

SCHEMBL8318693

Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NN2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.61
GABRA5 P31644 4/20 0.61
GABRA3 P34903 4/20 0.61
GABRA2 P47869 4/20 0.61
OPRK1 P41145 4/20 0.61
PDE4D Q08499 3/20 0.61
GABRG2 P18507 1/20 0.61
HTR2A P28223 1/20 0.61
GABRB3 P28472 1/20 0.61
ADRA1A P35348 1/20 0.61
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GABRB2 P47870 3/20 0.48
PTAFR P25105 2/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 3/20 0.48
BRD4 O60885 2/20 0.48
CNR1 P21554 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
CHRM2 P08172 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
SCHEMBL8316669 0.87 OPRK1 (0.61) GABRA1GABRA5GABRA3GABRA2OPRK1
Bromide SCHEMBL8319843 0.86 OPRK1 (0.60) GABRA1GABRA5GABRA3GABRA2OPRK1
SCHEMBL8318668 0.79 BRD4 (0.59) GABRA1GABRA5GABRA3GABRA2OPRK1
Triazolam SCHEMBL29382425 0.76 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2OPRK1
Triazolam SCHEMBL5142333 0.76 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2OPRK1
Triazolam SCHEMBL29349744 0.76 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2OPRK1
Triazolam SCHEMBL29228 0.76 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2OPRK1
Triazolam SCHEMBL29368430 0.76 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2OPRK1
Triazolam SCHEMBL9055695 0.75 GABRA1 (0.98) GABRA1GABRA5GABRA3GABRA2OPRK1
Triazolam SCHEMBL27600059 0.75 GABRA1 (0.98) GABRA1GABRA5GABRA3GABRA2OPRK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934940-A1 CYTOKINE PRODUCTION INHIBITORS, TRIAZEPINE COMPOUNDS, AND INTERMEDIATES THEREOF Japan Tobacco Inc. (JP) 1999-08-11 EP disclosed
US-5807850-A Therapeutic agent for osteoporosis and triazepine compound JAPAN TOBACCO, INC. (JP) 1998-09-15 US disclosed
EP-0792880-A1 OSTEOPOROSIS REMEDY AND TRIAZEPINE COMPOUND Japan Tobacco Inc. (JP) 1997-09-03 EP disclosed