SCHEMBL11509752

SCHEMBL11509752

Cc1cc2n(c1C)-c1ccc(Cl)cc1C(c1ccccc1)=NC2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 8/20 0.67
GABRA1 P14867 4/20 0.67
GABRA5 P31644 4/20 0.67
GABRA2 P47869 4/20 0.67
HPGD P15428 4/20 0.67
GABRA3 P34903 3/20 0.67
GABRB2 P47870 3/20 0.67
BRD4 O60885 2/20 0.67
LMNA P02545 1/20 0.67
CNR1 P21554 1/20 0.67
GABRG2 P18507 2/20 0.58
GABRB3 P28472 2/20 0.58
GABRP O00591 1/20 0.58
GABRD O14764 1/20 0.58
CACNA1F O60840 1/20 0.58
ALB P02768 1/20 0.58
GABRB1 P18505 1/20 0.58
AKR1C3 P42330 1/20 0.58
GABRA4 P48169 1/20 0.58
AKR1C2 P52895 1/20 0.58

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
SCHEMBL11507894 0.88 GABRA1 (0.69) OPRK1GABRA1GABRA5GABRA2HPGD
SCHEMBL11507031 0.85 OPRK1 (0.71) OPRK1GABRA1GABRA5GABRA2HPGD
SCHEMBL11508218 0.84 OPRK1 (0.65) OPRK1GABRA1GABRA5GABRA2HPGD
SCHEMBL2973989 0.82 OPRK1 (0.74) OPRK1GABRA1GABRA5GABRA2HPGD
Alprazolam SCHEMBL5480614 0.81 GABRA1 (1.00) OPRK1GABRA1GABRA5GABRA2HPGD
Alprazolam SCHEMBL8398 0.81 GABRA1 (1.00) OPRK1GABRA1GABRA5GABRA2HPGD
Alprazolam SCHEMBL29381667 0.81 GABRA1 (1.00) OPRK1GABRA1GABRA5GABRA2HPGD
Alprazolam SCHEMBL16922178 0.81 GABRA1 (1.00) OPRK1GABRA1GABRA5GABRA2HPGD
SCHEMBL11809246 0.80 OPRK1 (0.69) OPRK1GABRA1GABRA5GABRA2HPGD
Alprazolam SCHEMBL22527891 0.80 GABRA1 (0.98) OPRK1GABRA1GABRA5GABRA2HPGD

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-4169150-A MUSCLE RELAXANTS, HYPNOSIS, ANTICONVULSANTS, SEDATIVES TEIJIN LIMITED (JP) 1979-09-25 US claimed
US-4169150-A MUSCLE RELAXANTS, HYPNOSIS, ANTICONVULSANTS, SEDATIVES TEIJIN LIMITED (JP) 1979-09-25 US disclosed