SCHEMBL20041956

SCHEMBL20041956

COc1cc(F)c(C2CC(=O)N(C[S+](N)[O-])C2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
FPR1 P21462 2/20 0.38
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
DPP4 P27487 1/20 0.35
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
TAAR1 Q96RJ0 1/20 0.33
PLA2G7 Q13093 1/20 0.32
CPS1 P31327 4/20 0.32
PKM P14618 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
SCHEMBL19559403 1.00 SMN1; SMN2 (0.38) SMN1; SMN2FPR1HCRTR1HCRTR2DPP4
SCHEMBL20041907 0.81 SMN1; SMN2 (0.41) SMN1; SMN2FPR1HCRTR1HCRTR2DPP4
SCHEMBL18117812 0.81 FPR1 (0.43) SMN1; SMN2FPR1HCRTR1HCRTR2DPP4
SCHEMBL19559490 0.81 FPR1 (0.43) SMN1; SMN2FPR1HCRTR1HCRTR2DPP4
SCHEMBL23654371 0.81 HCRTR1 (0.43) SMN1; SMN2FPR1HCRTR1HCRTR2DPP4
SCHEMBL18117811 0.81 SMN1; SMN2 (0.38) SMN1; SMN2FPR1HCRTR1HCRTR2DPP4
SCHEMBL20041792 0.81 SMN1; SMN2 (0.47) SMN1; SMN2FPR1HCRTR1HCRTR2DPP4
SCHEMBL23653856 0.80 POLB (0.42) SMN1; SMN2FPR1HCRTR1HCRTR2DPP4
SCHEMBL19559542 0.80 SMN1; SMN2 (0.42) SMN1; SMN2FPR1HCRTR1HCRTR2DPP4
SCHEMBL23654002 0.80 FPR1 (0.53) SMN1; SMN2FPR1HCRTR1HCRTR2DPP4

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-3305763-A1 DEUTERATED OR ISOTOPICALLY LABELED UREA DERIVATIVES OR PHARMACOLOGICALLY ACCEPTABLE SALTS THEREOF USEFUL AS FPRL-1 AGONISTS Kyorin Pharmaceutical Co., Ltd. (JP) 2018-04-11 EP disclosed