SCHEMBL8349473

SCHEMBL8349473

CC1CN1c1nc2cc(Cl)ccc2o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 1/20 0.49
▸ GABRD O14764 1/20 0.49
▸ GABRA1 P14867 1/20 0.49
▸ GABRB1 P18505 1/20 0.49
▸ GABRG2 P18507 1/20 0.49
▸ GABRB3 P28472 1/20 0.49
▸ GABRA5 P31644 1/20 0.49
▸ GABRA3 P34903 1/20 0.49
▸ GABRA2 P47869 1/20 0.49
▸ GABRB2 P47870 1/20 0.49
▸ GABRA4 P48169 1/20 0.49
▸ GABRE P78334 1/20 0.49
▸ GABRA6 Q16445 1/20 0.49
▸ GABRG1 Q8N1C3 1/20 0.49
▸ GABRG3 Q99928 1/20 0.49
▸ GABRQ Q9UN88 1/20 0.49
▸ LMNA P02545 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49

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
SCHEMBL21154486 0.83 TRPV1 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21154241 0.83 TRPV1 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21154197 0.81 FAAH (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21154508 0.77 PTGES (0.49) PTGESPTGS2HCRTR2HCRTR1
SCHEMBL21154185 0.77 PTGES (0.49) PTGESPTGS2HCRTR2HCRTR1
SCHEMBL29293532 0.77 PTGES (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL24331257 0.77 PTGES (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4697951 0.76 HTR3A (0.67) —
SCHEMBL19698128 0.76 PTGES (0.56) PTGESPTGS2HCRTR2HCRTR1
SCHEMBL29293567 0.76 KDM4E (0.49) GABRPGABRDGABRA1GABRB1GABRG2

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-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 — — WO disclosed
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