SCHEMBL29909769

SCHEMBL29909769

CN(C)CC1(c2ccc(-c3cccc(N(C)c4nc5nncn5c5cc(Cl)ccc45)c3)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.35
SLC6A3 Q01959 11/20 0.35
SLC6A2 P23975 8/20 0.35
PBK Q96KB5 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
MAT2A P31153 3/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
PRMT5 O14744 1/20 0.31
CYP1A2 P05177 1/20 0.31
HSD11B1 P28845 1/20 0.30

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
SCHEMBL23576674 1.00 SLC6A4 (0.35) SLC6A4SLC6A3SLC6A2PBKFNTA
SCHEMBL29909787 0.92 FNTA (0.33) FNTAFNTBMAT2ATP53MAPT
SCHEMBL23577586 0.92 FNTA (0.34) SLC6A4SLC6A3SLC6A2PBKFNTA
SCHEMBL23578133 0.92 FNTA (0.33) FNTAFNTBMAT2ATP53MAPT
SCHEMBL29909830 0.92 FNTA (0.34) SLC6A4SLC6A3SLC6A2PBKFNTA
SCHEMBL23576631 0.87 MCHR1 (0.39)
SCHEMBL29909768 0.87 FNTA (0.40) FNTAFNTBMAT2ATP53MAPT
SCHEMBL23601235 0.87 FNTA (0.40) FNTAFNTBMAT2ATP53MAPT
SCHEMBL23601231 0.85 ALDH1A1 (0.33) FNTAFNTBMAT2AHSD11B1
SCHEMBL31169411 0.85 ALDH1A1 (0.33) FNTAFNTBMAT2AHSD11B1

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
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP disclosed