SCHEMBL13635450

SCHEMBL13635450

BCc1ccc(F)cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
RIPK3 Q9Y572 4/20 0.34
TRPV4 Q9HBA0 1/20 0.34
DPP4 P27487 1/20 0.34
IDO1 P14902 2/20 0.33
AGXT P21549 2/20 0.33
RORC P51449 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
AR P10275 1/20 0.33
SNCA P37840 1/20 0.33
DRD2 P14416 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
SCHEMBL8236340 0.84 MAOA (0.41) MAOAMAOBTRPV4DPP4RORC
SCHEMBL7661361 0.80 MAOA (0.38) MAOAMAOBRIPK3TRPV4DPP4
SCHEMBL534825 0.80 MAOA (0.38) MAOAMAOBRIPK3TRPV4DPP4
SCHEMBL19437243 0.80 MAOA (0.38) MAOAMAOBRIPK3TRPV4DPP4
SCHEMBL8415471 0.80 AR (0.39) MAOAMAOBRIPK3DPP4RORC
SCHEMBL24302232 0.80 MAOA (0.38) MAOAMAOBRIPK3TRPV4DPP4
SCHEMBL12215809 0.80 MPO (0.41) MAOAMAOBTRPV4DPP4IDO1
SCHEMBL31533623 0.80 MAOA (0.38) MAOAMAOBRIPK3TRPV4DPP4
SCHEMBL18245710 0.77 MAOA (0.36) MAOAMAOBRIPK3TRPV4DPP4
SCHEMBL18246279 0.77 FFAR1 (0.37) MAOAMAOBRIPK3TRPV4DPP4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490064-B1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORP (US) 2009-11-18 EP disclosed
EP-1506967-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL (JP) 2007-11-21 EP disclosed