SCHEMBL20612971

SCHEMBL20612971

Fc1ccc(OCC2CCN(c3c(F)cc(Cl)cc3F)CC2)c2c1NCCC2

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.39
DRD2 P14416 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
FFAR4 Q5NUL3 5/20 0.38
SLC6A4 P31645 3/20 0.38
HTR6 P50406 1/20 0.36
PARP1 P09874 1/20 0.36

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
SCHEMBL20597505 0.77 PIM2 (0.32) PARP1
SCHEMBL30116183 0.77 PIM2 (0.32) PARP1
SCHEMBL20612908 0.76 MGLL (0.41) FFAR4
Hydrochloric Acid SCHEMBL22694634 0.76 PIM2 (0.32)
Hydrochloric Acid SCHEMBL30116244 0.76 PIM2 (0.32)
SCHEMBL20613066 0.74 FFAR4 (0.42) FFAR4
SCHEMBL20612923 0.71 DRD4 (0.50) HTR2CHTR2BFFAR4
SCHEMBL25970060 0.71 FFAR4 (0.40) FFAR4
SCHEMBL20613106 0.70 FFAR4 (0.40) FFAR4
SCHEMBL20613099 0.70 FFAR4 (0.42) 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