SCHEMBL20612924

SCHEMBL20612924

Cc1cc(F)c(N2CCC(COc3cccc4c3CCNC4=O)CC2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.46
TRPM2 O94759 1/20 0.46
FFAR4 Q5NUL3 13/20 0.44
PARP10 Q53GL7 1/20 0.41
PARP11 Q9NR21 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
BRD4 O60885 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37

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
SCHEMBL20612865 0.86 FFAR4 (0.44) FFAR4BRD4MRGPRX4
SCHEMBL20613065 0.85 BRD4 (0.46) FFAR4BRD4MRGPRX4
SCHEMBL25964887 0.78 FFAR4 (0.41) FFAR4
SCHEMBL25967371 0.77 FFAR4 (0.43) FFAR4
SCHEMBL25967424 0.76 FFAR4 (0.40) FFAR4
SCHEMBL25970060 0.74 FFAR4 (0.40) FFAR4
SCHEMBL20613099 0.73 FFAR4 (0.42) FFAR4
SCHEMBL25968580 0.73 FFAR4 (0.42) FFAR4
SCHEMBL25967188 0.72 FFAR4 (0.41) FFAR4
SCHEMBL25966865 0.71 ADRB3 (0.46) FFAR4

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-3421454-A1 PIPERIDINE DERIVATIVE Otsuka Pharmaceutical Co., Ltd. (JP) 2019-01-02 EP disclosed