SCHEMBL15537181

SCHEMBL15537181

COc1cc(Cl)ccc1CC1(OC)CCN(C(=O)O)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 6/20 0.55
PROKR1 Q8TCW9 6/20 0.55
FFAR4 Q5NUL3 2/20 0.43
KDM4E B2RXH2 1/20 0.42
RBP4 P02753 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
EPHX2 P34913 1/20 0.39
MC4R P32245 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL15537089 0.87 FPR2 (0.56) FPR2PROKR1FFAR4KDM4EMAPK1
SCHEMBL19921923 0.85 FPR2 (0.51) FPR2PROKR1KDM4EALDH1A1RAB9A
Hydrochloric Acid SCHEMBL28086957 0.79 FPR2 (0.55) FPR2PROKR1KDM4EALDH1A1MAPT
SCHEMBL15537095 0.77 FPR2 (0.53) FPR2PROKR1FFAR4ALDH1A1MEN1
SCHEMBL3933536 0.77 FPR2 (0.46) FPR2PROKR1FFAR4KDM4ERBP4
SCHEMBL28122531 0.74 NPC1 (0.42) KDM4EALDH1A1MAPTRAB9AMEN1
SCHEMBL19941299 0.73 FPR2 (0.46) FPR2PROKR1FFAR4KDM4EMAPK1
SCHEMBL30027758 0.73 FPR2 (0.52) FPR2PROKR1KDM4EALDH1A1RAB9A
SCHEMBL16657604 0.73 FPR2 (0.52) FPR2PROKR1KDM4EALDH1A1RAB9A
SCHEMBL1094025 0.73 KDM4E (0.54) FFAR4KDM4ERBP4MAPK1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855449-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP disclosed
WO-2013179024-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-05 WO disclosed