SCHEMBL10672191

SCHEMBL10672191

O=P(OC1=Nc2ccc(Cl)cc2C(c2ccccc2)=NC1)(N1CCOCC1)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 7/20 0.41
GABRA1 P14867 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
CACNA1F O60840 1/20 0.41
ALB P02768 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
AKR1C3 P42330 1/20 0.41
GABRA4 P48169 1/20 0.41
AKR1C2 P52895 1/20 0.41
GABRE P78334 1/20 0.41
CACNA1D Q01668 1/20 0.41
AKR1C1 Q04828 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL7307095 0.89 GABRA1 (0.41) OPRK1GABRA1GABRA5GABRA3GABRA2
SCHEMBL7309855 0.88 LMNA (0.43) OPRK1KCNH2PDE4DCHRM1LMNA
SCHEMBL7314761 0.85 LMNA (0.45) OPRK1GABRA1GABRA5GABRA3GABRA2
SCHEMBL7310869 0.84 TSHR (0.35) ALDH1A1HPGDHSD17B10
SCHEMBL10674727 0.83 OPRK1 (0.43) OPRK1GABRA1GABRA5GABRA3GABRA2
SCHEMBL7309396 0.77 GABRA1 (0.46) OPRK1GABRA1GABRA5GABRA3GABRA2
SCHEMBL7303999 0.76 CHRM1 (0.41) OPRK1GABRA1GABRA5GABRA3GABRA2
SCHEMBL7307967 0.76 ADRA1A (0.44) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL20473325 0.75 CHRM1 (0.38) OPRK1PDE4DNR1I2ADORA3ALDH1A1
SCHEMBL20473281 0.75 CYP1A2 (0.35) CHRM1LMNA

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-4739049-A Phosphorylation of cyclic amides HOFFMANN-LA ROCHE INC. (US) 1988-04-19 US disclosed