SCHEMBL1684176

SCHEMBL1684176

CCOCc1c[nH]c2cnc(C(=O)N(Cc3ccc(F)cc3F)OC)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
MPO P05164 7/20 0.35
SPR P35270 2/20 0.34
RIPK1 Q13546 2/20 0.34
SLC6A4 P31645 2/20 0.34
TSHR P16473 1/20 0.34
SCN9A Q15858 1/20 0.34
GABRA4 P48169 1/20 0.33
GABRA6 Q16445 1/20 0.33
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
NOTUM Q6P988 1/20 0.33
TACR1 P25103 1/20 0.33
MAOB P27338 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL1684138 0.88 MPO (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1684121 0.79 RIPK1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1684143 0.76 RIPK1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1684122 0.73 RIPK1 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1684165 0.71 OPRM1 (0.40) MPORIPK1SLC6A4TSHRHTR2A
SCHEMBL1684181 0.70 MPO (0.42) MPOSLC6A4
SCHEMBL1684271 0.69 FSCN1 (0.37) RIPK1MAOB
SCHEMBL1684139 0.66 TDO2 (0.40) RIPK1
SCHEMBL1684209 0.65 L3MBTL1 (0.44) TSHR
SCHEMBL1684118 0.64 TDO2 (0.36) RIPK1

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-2011041512-A2 COMPOSITIONS AND METHODS FOR TREATING MLV-INFECTION, AND PREVENTING AND TREATING MLV-INITIATED DISEASES EMORY UNIVERSITY (US) 2011-04-07 WO disclosed