SCHEMBL11464366

SCHEMBL11464366

CN1CCN(C=C2N=C3CN=C(c4ccccc4)c4cc(Cl)ccc4N3C2=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 8/20 0.54
GABRA1 P14867 2/20 0.54
GABRA5 P31644 2/20 0.54
GABRA3 P34903 2/20 0.54
GABRA2 P47869 2/20 0.54
GABRB2 P47870 2/20 0.54
GABRP O00591 1/20 0.54
GABRD O14764 1/20 0.54
CACNA1F O60840 1/20 0.54
ALB P02768 1/20 0.54
GABRB1 P18505 1/20 0.54
GABRG2 P18507 1/20 0.54
GABRB3 P28472 1/20 0.54
AKR1C3 P42330 1/20 0.54
GABRA4 P48169 1/20 0.54
AKR1C2 P52895 1/20 0.54
GABRE P78334 1/20 0.54
CACNA1D Q01668 1/20 0.54
AKR1C1 Q04828 1/20 0.54
KCNH2 Q12809 1/20 0.54

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
SCHEMBL11556881 0.90 OPRK1 (0.49) OPRK1GABRA1GABRA5GABRA3GABRA2
SCHEMBL11464875 0.90 OPRK1 (0.49) OPRK1GABRA1GABRA5GABRA3GABRA2
SCHEMBL7723239 0.89 GABRA1 (0.54) OPRK1GABRA1GABRA5GABRA3GABRA2
SCHEMBL11455677 0.89 OPRK1 (0.49) OPRK1GABRA1GABRA5GABRA3GABRA2
SCHEMBL8359287 0.88 GABRA1 (0.49) OPRK1GABRA1GABRA5GABRA3GABRA2
SCHEMBL11497057 0.88 OPRK1 (0.49) OPRK1GABRA1GABRA5GABRA3GABRA2
SCHEMBL8274523 0.88 GABRA1 (0.39) OPRK1GABRA1GABRA5GABRA3GABRA2
SCHEMBL7717567 0.86 GABRA1 (0.56) OPRK1GABRA1GABRA5GABRA3GABRA2
Cadaverine Tartrate SCHEMBL11497091 0.85 TDP1 (0.42) OPRK1GABRA1GABRA5GABRA3GABRA2
SCHEMBL11455593 0.84 OPRK1 (0.55) OPRK1GABRA1GABRA5GABRA3GABRA2

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-4185102-A SEDATIVES, TRANQUILIZERS, ANTICONVULSANTS ROUSSEL UCLAF (FR) 1980-01-22 US disclosed
US-4134976-A SEDATIVES, TRANQUILIZERS, ANTICONVULSANTS, HYPNOTICS, MUSCLE RELAXANTS ROUSSEL UCLAF (FR) 1979-01-16 US disclosed