SCHEMBL20041965

SCHEMBL20041965

COc1cnc([C@@H]2CNC(O)C2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 1/20 0.41
FPR2 P25090 1/20 0.41
PDK2 Q15119 1/20 0.33
CHRNB2 P17787 5/20 0.32
CHRNA4 P43681 5/20 0.32
CPS1 P31327 2/20 0.31
KDM1A O60341 1/20 0.30
CHRNB4 P30926 4/20 0.30
CHRNA3 P32297 4/20 0.30

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
SCHEMBL22015871 0.79 FPR1 (0.36) FPR1FPR2
SCHEMBL24434524 0.73 FPR1 (0.44) FPR1FPR2PDK2CHRNB2CHRNA4
SCHEMBL19559391 0.73 FPR1 (0.45) FPR1FPR2
SCHEMBL16785448 0.73 FPR1 (0.45) FPR1FPR2
SCHEMBL29955510 0.66 ENPP2 (0.35) FPR1FPR2PDK2CPS1
SCHEMBL29434224 0.66 FPR2 (0.58) FPR1FPR2
SCHEMBL20996238 0.66 FPR2 (0.58) FPR1FPR2
SCHEMBL16785442 0.66 FPR2 (0.58) FPR1FPR2
SCHEMBL18106704 0.66 FPR2 (0.56) FPR1FPR2
SCHEMBL19988738 0.66 FPR1 (0.38) FPR1FPR2KDM1A

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