SCHEMBL3345498

SCHEMBL3345498

O=C(O)C1CN(Cc2ccccc2)CC1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.57
SIGMAR1 Q99720 3/20 0.51
HIF1A Q16665 1/20 0.51
EPAS1 Q99814 1/20 0.51
S1PR5 Q9H228 4/20 0.50
S1PR1 P21453 3/20 0.50
GRK5 P34947 1/20 0.50
CDK8 P49336 1/20 0.50
MC4R P32245 1/20 0.49
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
PDGFRA P16234 1/20 0.48
FAAH O00519 1/20 0.48
KCNH2 Q12809 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
LMNA P02545 1/20 0.46
BCHE P06276 1/20 0.46

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
SCHEMBL1751711 0.87 RORC (0.64) RORCSIGMAR1S1PR5S1PR1
SCHEMBL12303485 0.87 RORC (0.64) RORCSIGMAR1S1PR5S1PR1
SCHEMBL1752417 0.87 RORC (0.64) RORCSIGMAR1S1PR5S1PR1
SCHEMBL419234 0.87 RORC (0.64) RORCSIGMAR1S1PR5S1PR1
SCHEMBL1752470 0.87 RORC (0.64) RORCSIGMAR1S1PR5S1PR1
SCHEMBL14371541 0.87 RORC (0.64) RORCSIGMAR1S1PR5S1PR1
SCHEMBL8484105 0.87 RORC (0.64) RORCSIGMAR1S1PR5S1PR1
SCHEMBL23923989 0.86 RORC (0.60) RORCSIGMAR1S1PR5S1PR1DRD2
SCHEMBL15397506 0.86 RORC (0.60) RORCSIGMAR1S1PR5S1PR1DRD2
SCHEMBL15397505 0.86 RORC (0.60) RORCSIGMAR1S1PR5S1PR1DRD2

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-2010059922-A1 PYRROLIDINE CARBOXAMIDE COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-05-27 WO disclosed