SCHEMBL20041964

SCHEMBL20041964

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
CPS1 P31327 7/20 0.38
FPR1 P21462 8/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
FPR2 P25090 6/20 0.35
DPP4 P27487 1/20 0.34

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
SCHEMBL19559531 1.00 HCRTR1 (0.38) HCRTR1HCRTR2CPS1FPR1SMN1; SMN2
SCHEMBL19559459 0.84 PDE4A (0.50) HCRTR1HCRTR2CPS1FPR1SMN1; SMN2
SCHEMBL18117769 0.84 PDE4A (0.50) HCRTR1HCRTR2CPS1FPR1SMN1; SMN2
SCHEMBL19559422 0.82 HCRTR1 (0.38) HCRTR1HCRTR2CPS1FPR1SMN1; SMN2
SCHEMBL19559537 0.82 HCRTR1 (0.38) HCRTR1HCRTR2CPS1FPR1SMN1; SMN2
SCHEMBL19559458 0.80 FPR1 (0.54) HCRTR1HCRTR2CPS1FPR1SMN1; SMN2
SCHEMBL19559542 0.80 SMN1; SMN2 (0.42) HCRTR1HCRTR2CPS1FPR1SMN1; SMN2
SCHEMBL18117771 0.80 FPR1 (0.54) HCRTR1HCRTR2CPS1FPR1SMN1; SMN2
SCHEMBL19559464 0.79 SMN1; SMN2 (0.51) HCRTR1HCRTR2CPS1FPR1SMN1; SMN2
SCHEMBL20041907 0.79 SMN1; SMN2 (0.41) HCRTR1HCRTR2CPS1FPR1SMN1; SMN2

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