SCHEMBL1684138

SCHEMBL1684138

CON(Cc1ccc(F)cc1F)C(=O)c1cc2c(CN(C)C)c[nH]c2cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 7/20 0.37
SLC6A4 P31645 2/20 0.36
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
SPR P35270 1/20 0.36
TSHR P16473 2/20 0.35
RIPK1 Q13546 2/20 0.35
GABRA4 P48169 1/20 0.35
GABRA6 Q16445 1/20 0.35
TDO2 P48775 2/20 0.35
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
NOTUM Q6P988 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL1684176 0.88 GABRA1 (0.36) MPOSLC6A4GABRA1GABRG2GABRB3
SCHEMBL1684143 0.87 RIPK1 (0.42) MPOSLC6A4GABRA1GABRG2GABRB3
SCHEMBL1684121 0.79 RIPK1 (0.46) MPOSLC6A4GABRA1GABRG2GABRB3
SCHEMBL1684122 0.75 RIPK1 (0.43) MPOSLC6A4GABRA1GABRG2GABRB3
SCHEMBL9081597 0.75 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9387911 0.73 KMT2A (0.44) SLC6A4GABRA1GABRG2GABRB3GABRA5
SCHEMBL1684165 0.73 OPRM1 (0.40) MPOSLC6A4TSHRRIPK1HTR2A
SCHEMBL1684181 0.72 MPO (0.42) MPOSLC6A4
SCHEMBL1684140 0.69 RIPK1 (0.36) MPOSLC6A4RIPK1CYP3A4CYP2D6
SCHEMBL1684139 0.68 TDO2 (0.40) RIPK1TDO2MEN1KMT2A

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