SCHEMBL11537673

SCHEMBL11537673

CC(F)c1nnc2n1-c1ccc(Cl)cc1C(c1c(F)cccc1F)=NC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.51
GABRA1 P14867 5/20 0.51
GABRA5 P31644 5/20 0.51
GABRA2 P47869 5/20 0.51
HPGD P15428 4/20 0.51
GABRA3 P34903 4/20 0.51
GABRB2 P47870 4/20 0.51
LMNA P02545 2/20 0.51
BRD4 O60885 2/20 0.51
CNR1 P21554 1/20 0.51
PDE4D Q08499 3/20 0.50
GABRG2 P18507 2/20 0.50
GABRB3 P28472 2/20 0.50
HTR2A P28223 1/20 0.50
ADRA1A P35348 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP3A4 P08684 2/20 0.45
SLC22A1 O15245 1/20 0.45
ABCB11 O95342 1/20 0.45

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
SCHEMBL7317622 0.85 GABRA1 (0.70) OPRK1GABRA1GABRA5GABRA2HPGD
SCHEMBL11686986 0.83 PTAFR (0.47) OPRK1GABRA1GABRA5GABRA2HPGD
SCHEMBL11683606 0.82 OPRK1 (0.53) OPRK1GABRA1GABRA5GABRA2HPGD
SCHEMBL11716522 0.81 OPRK1 (0.53) OPRK1GABRA1GABRA5GABRA2HPGD
SCHEMBL11378371 0.81 OPRK1 (0.56) OPRK1GABRA1GABRA5GABRA2HPGD
SCHEMBL11385248 0.80 OPRK1 (0.73) OPRK1GABRA1GABRA5GABRA2HPGD
SCHEMBL10404510 0.80 CYP3A4 (0.56) OPRK1GABRA1GABRA5GABRA2HPGD
SCHEMBL11863031 0.80 OPRK1 (0.55) OPRK1GABRA1GABRA5GABRA2HPGD
SCHEMBL11620744 0.80 OPRK1 (0.60) OPRK1GABRA1GABRA5GABRA2HPGD
SCHEMBL11854548 0.78 OPRK1 (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4141902-A SEDATIVES, TRANQUILIZERS, MUSCLE RELAXANTS THE UPJOHN COMPANY (US) 1979-02-27 US disclosed