SCHEMBL1684121

SCHEMBL1684121

CCc1c[nH]c2cnc(C(=O)N(O)Cc3ccc(F)cc3F)cc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.46
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
MPO P05164 10/20 0.40
TSHR P16473 1/20 0.39
SLC6A4 P31645 2/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
NOTUM Q6P988 1/20 0.37
CYP3A4 P08684 3/20 0.37
MAP4K1 Q92918 3/20 0.37
ABL1 P00519 1/20 0.37
HTR2A P28223 2/20 0.36

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
SCHEMBL1684143 0.92 RIPK1 (0.42) RIPK1GABRA1GABRG2GABRB3GABRA5
SCHEMBL1684122 0.90 RIPK1 (0.43) RIPK1GABRA1GABRG2GABRB3GABRA5
SCHEMBL1684165 0.86 OPRM1 (0.40) RIPK1MPOTSHRSLC6A4HTR2A
SCHEMBL1684181 0.85 MPO (0.42) MPOSLC6A4
SCHEMBL1684139 0.81 TDO2 (0.40) RIPK1
SCHEMBL1684138 0.79 MPO (0.37) RIPK1GABRA1GABRG2GABRB3GABRA5
SCHEMBL1684176 0.79 GABRA1 (0.36) RIPK1GABRA1GABRG2GABRB3GABRA5
SCHEMBL1684118 0.79 TDO2 (0.36) RIPK1
SCHEMBL1684142 0.78 RIPK1 (0.43) RIPK1GABRA1GABRG2GABRB3GABRA5
SCHEMBL1684177 0.68 RIPK1 (0.45) RIPK1SLC6A4CYP3A4

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