SCHEMBL23716245

SCHEMBL23716245

C/C(Br)=C\C=C(/N)NNOc1ccc(C#N)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.37
S1PR3 Q99500 1/20 0.33
ESRRA P11474 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
SCHEMBL23716306 0.74 S1PR3 (0.56) ARS1PR3
SCHEMBL23715950 0.71 AR (0.45) ARMRGPRX4S1PR3ESRRA
SCHEMBL25680960 0.66 AR (0.44) ARMRGPRX4ESRRA
SCHEMBL23716119 0.65 S1PR3 (0.44) ARS1PR3
SCHEMBL509379 0.64 AR (0.50) ARMRGPRX4
SCHEMBL24074650 0.63 AR (0.46) ARMRGPRX4
SCHEMBL13762841 0.62 AR (0.49) ARMRGPRX4S1PR3
SCHEMBL28338571 0.62 AR (0.45) ARMRGPRX4S1PR3ESRRA
SCHEMBL6110658 0.61 AR (0.43) ARMRGPRX4ESRRA
SCHEMBL16255446 0.60 MRGPRX4 (0.51) ARMRGPRX4

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