SCHEMBL20041907

SCHEMBL20041907

COc1cc(F)c(C2CC(=O)N(CSN)C2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
FPR1 P21462 5/20 0.40
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
DPP4 P27487 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
CPS1 P31327 1/20 0.34
FPR2 P25090 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PLA2G7 Q13093 1/20 0.33

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
SCHEMBL19559542 0.89 SMN1; SMN2 (0.42) SMN1; SMN2FPR1HCRTR1HCRTR2DPP4
SCHEMBL20041792 0.84 SMN1; SMN2 (0.47) SMN1; SMN2FPR1HCRTR1HCRTR2DPP4
SCHEMBL18117771 0.84 FPR1 (0.54) SMN1; SMN2FPR1HCRTR1HCRTR2DPP4
SCHEMBL19559458 0.84 FPR1 (0.54) SMN1; SMN2FPR1HCRTR1HCRTR2DPP4
SCHEMBL19559464 0.82 SMN1; SMN2 (0.51) SMN1; SMN2FPR1HCRTR1HCRTR2PDE4A
SCHEMBL18117735 0.82 SMN1; SMN2 (0.51) SMN1; SMN2FPR1HCRTR1HCRTR2PDE4A
SCHEMBL23654371 0.82 HCRTR1 (0.43) SMN1; SMN2FPR1HCRTR1HCRTR2DPP4
SCHEMBL18117812 0.82 FPR1 (0.43) SMN1; SMN2FPR1HCRTR1HCRTR2DPP4
SCHEMBL19559490 0.82 FPR1 (0.43) SMN1; SMN2FPR1HCRTR1HCRTR2DPP4
SCHEMBL20041956 0.81 SMN1; SMN2 (0.38) 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