SCHEMBL11835237

SCHEMBL11835237

Cc1cnc2n1-c1ccc([N+](=O)[O-])cc1C(c1ccccc1F)=NC2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.64
GABRA5 P31644 5/20 0.64
GABRA3 P34903 4/20 0.64
GABRA2 P47869 4/20 0.64
GABRB2 P47870 4/20 0.64
GABRG2 P18507 3/20 0.64
GABRB3 P28472 3/20 0.64
OPRK1 P41145 2/20 0.64
CCKBR P32239 1/20 0.64
MC3R P41968 1/20 0.64
GHSR Q92847 1/20 0.64
PTAFR P25105 9/20 0.49
CYP3A4 P08684 2/20 0.48
SLC22A1 O15245 1/20 0.48
ABCB11 O95342 1/20 0.48
DRD3 P35462 1/20 0.48
PDE4D Q08499 1/20 0.48
LMNA P02545 1/20 0.46
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39

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
SCHEMBL11808287 0.88 GABRA1 (0.53) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL11837344 0.87 LMNA (0.62) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL11832364 0.86 GABRA1 (0.59) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL11833527 0.84 PTAFR (0.55) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL11829978 0.84 GABRA1 (0.64) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL11827030 0.82 OPRK1 (0.70) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL11836324 0.82 GABRA1 (0.53) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL11837097 0.81 GABRA1 (0.43) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL11828371 0.81 GABRA1 (0.60) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL8933501 0.81 PTAFR (0.50) GABRA1GABRA5GABRA3GABRA2GABRB2

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-3933794-A CENTRAL NERVOUS SYSTEM DEPRESSANTS THE UPJOHN COMPANY (US) 1976-01-20 US disclosed