SCHEMBL23716117

SCHEMBL23716117

NC(O)C(NNOc1cccc(Cl)c1)c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.38
WDR5 P61964 1/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 1/20 0.34
PTGER4 P35408 1/20 0.33
SLC6A4 P31645 2/20 0.33
PNMT P11086 1/20 0.33
TRPV4 Q9HBA0 1/20 0.32
FFAR1 O14842 1/20 0.32
PPARG P37231 3/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
MAOB P27338 1/20 0.32
AOC3 Q16853 1/20 0.32
HTR2A P28223 1/20 0.32
KCNH2 Q12809 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
SCHEMBL23716193 0.78 OGG1 (0.44) OGG1WDR5CNR1CNR2PTGER4
SCHEMBL23716123 0.76 AOC3 (0.42) AOC3
SCHEMBL23715928 0.76 IDO1 (0.39) MAOBAOC3
SCHEMBL23716290 0.74 SLC6A4 (0.38) SLC6A4PNMTFFAR1PPARGHTR2A
SCHEMBL23716102 0.72 S1PR3 (0.40) CNR1CNR2SLC6A4
SCHEMBL23716111 0.71 OGG1 (0.45) OGG1WDR5SLC6A4
SCHEMBL23715916 0.70 OGG1 (0.44) OGG1WDR5SLC6A4
SCHEMBL23715998 0.69 S1PR3 (0.42) SLC6A4
SCHEMBL23716312 0.68 S1PR3 (0.52)
SCHEMBL23716135 0.68 KMT2A (0.37) CNR1PPARG

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-3209732-B1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS SCRIPPS RESEARCH INST (US) 2021-08-04 EP disclosed