SCHEMBL3920261

SCHEMBL3920261

CC(C)c1c(Cl)nc(OCc2ccccc2)nc1OCc1ccccc1.Cc1cc(C#N)cc(C(C#N)c2nc(OCc3ccccc3)nc(OCc3ccccc3)c2C(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.37
CNR1 P21554 2/20 0.35
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
SQOR Q9Y6N5 1/20 0.33
MAOB P27338 1/20 0.32
HPGD P15428 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
MRGPRX4 Q96LA9 3/20 0.31

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
SCHEMBL501304 0.95 MAPK9 (0.36) GRM5CNR1MAPK9MAPK10SQOR
SCHEMBL501908 0.82 SQOR (0.36) GRM5CNR1MAPK9MAPK10SQOR
SCHEMBL501211 0.81 SQOR (0.35) GRM5CNR1MAPK9MAPK10SQOR
SCHEMBL10264980 0.78 KDM4E (0.31) HPGDALDH1A1HTTKDM4EL3MBTL1
SCHEMBL501586 0.78 HPGD (0.48) CNR1HPGDALDH1A1LMNATSHR
SCHEMBL502073 0.77 MAOB (0.40) GRM5CNR1SQORMAOBHPGD
SCHEMBL12752370 0.75 SQOR (0.36) GRM5CNR1MAPK9MAPK10SQOR
SCHEMBL501518 0.74 LRRK2 (0.37) SQORMAOBHPGDALDH1A1LMNA
SCHEMBL12752569 0.70 MAOB (0.40) GRM5SQORMAOBHPGDALDH1A1
SCHEMBL501449 0.69 GAA (0.30) ALDH1A1GAA

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
WO-2009005693-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-01-08 WO disclosed