SCHEMBL8316480

SCHEMBL8316480

COc1ccc(CN2N=C(c3ccccc3Cl)c3cc(Cl)ccc3-n3c(C)nnc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.52
GABRA5 P31644 4/20 0.52
GABRA3 P34903 4/20 0.52
GABRA2 P47869 4/20 0.52
OPRK1 P41145 2/20 0.52
GABRG2 P18507 1/20 0.52
HTR2A P28223 1/20 0.52
GABRB3 P28472 1/20 0.52
ADRA1A P35348 1/20 0.52
PDE4D Q08499 1/20 0.52
BRD4 O60885 7/20 0.50
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HDAC3 O15379 3/20 0.43
HDAC4 P56524 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC11 Q96DB2 3/20 0.43

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
SCHEMBL8318050 0.90 BRD4 (0.63) GABRA1GABRA5GABRA3GABRA2OPRK1
SCHEMBL8317611 0.88 GABRA1 (0.53) GABRA1GABRA5GABRA3GABRA2OPRK1
SCHEMBL8317164 0.86 GABRA1 (0.51) GABRA1GABRA5GABRA3GABRA2OPRK1
SCHEMBL8315712 0.84 GABRA1 (0.48) GABRA1GABRA5GABRA3GABRA2OPRK1
SCHEMBL8320603 0.84 BRD4 (0.48) BRD4SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL8319404 0.81 BRD4 (0.47) BRD4
SCHEMBL8318824 0.79 BRD4 (0.45) BRD4SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL8317515 0.78 BRD4 (0.43) GABRA1GABRA5GABRA3GABRA2BRD4
SCHEMBL8319389 0.77 BRD4 (0.46) BRD4HDAC1HDAC2LMNA
SCHEMBL8317847 0.77 BRD4 (0.67) 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 6 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 claimed
US-5807850-A Therapeutic agent for osteoporosis and triazepine compound JAPAN TOBACCO, INC. (JP) 1998-09-15 US claimed
EP-0792880-A1 OSTEOPOROSIS REMEDY AND TRIAZEPINE COMPOUND Japan Tobacco Inc. (JP) 1997-09-03 EP claimed
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