SCHEMBL7318994

SCHEMBL7318994

COc1ccc2c(c1)C(c1ccccc1)=NCc1nnc(C)n1-2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 9/20 0.71
GABRA5 P31644 9/20 0.71
GABRA2 P47869 9/20 0.71
GABRB2 P47870 8/20 0.71
GABRA3 P34903 6/20 0.71
BRD4 O60885 4/20 0.71
HPGD P15428 3/20 0.71
OPRK1 P41145 3/20 0.71
LMNA P02545 2/20 0.71
CNR1 P21554 1/20 0.71
SMN1; SMN2 Q16637 3/20 0.59
GABRG2 P18507 1/20 0.57
HTR2A P28223 1/20 0.57
GABRB3 P28472 1/20 0.57
ADRA1A P35348 1/20 0.57
PDE4D Q08499 1/20 0.57
ALDH1A1 P00352 1/20 0.57
PTAFR P25105 2/20 0.55
TSHR P16473 1/20 0.55
BRD2 P25440 1/20 0.48

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
SCHEMBL23109728 0.91 LMNA (0.60) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL14756103 0.89 LMNA (0.69) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL11857297 0.87 GABRA1 (0.60) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL20463079 0.86 BRD4 (0.74) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL11636791 0.84 GABRA1 (0.76) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL10694270 0.84 GABRA1 (0.62) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL11853524 0.84 GABRA1 (0.51) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL8250450 0.83 GABRA1 (0.74) GABRA1GABRA5GABRA2GABRB2GABRA3
Alprazolam SCHEMBL8398 0.83 GABRA1 (1.00) GABRA1GABRA5GABRA2GABRB2GABRA3
Alprazolam SCHEMBL16922178 0.83 GABRA1 (1.00) GABRA1GABRA5GABRA2GABRB2GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4000289-A 6-PHENYL-4H-S-TRIAZOLO(4,3-A)(1,4)BENZODIAZEPINES THE UPJOHN COMPANY (US) 1976-12-28 US disclosed
US-3987052-A SEDATIVES, TRANQUILIZERS, MUSCLE RELAXANTS THE UPJOHN COMPANY (US) 1976-10-19 US disclosed