SCHEMBL20612938

SCHEMBL20612938

CCOC(=O)CCc1cc(F)ccc1OCC1CCN(c2c(F)cc(C)cc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 11/20 0.44
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
F10 P00742 2/20 0.40
RBP4 P02753 2/20 0.38
HPGD P15428 1/20 0.38
TTR P02766 1/20 0.38

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
SCHEMBL20714057 0.93 FFAR4 (0.43) FFAR4ALDH1A1TDP1TP53POLB
SCHEMBL25969024 0.91 FFAR4 (0.41) FFAR4ALDH1A1TDP1TP53POLB
SCHEMBL25969068 0.89 FFAR4 (0.50) FFAR4RBP4TTR
SCHEMBL20612909 0.85 FFAR4 (0.44) FFAR4RBP4TTR
SCHEMBL20613101 0.83 FFAR4 (0.43) FFAR4RBP4TTR
SCHEMBL20612921 0.83 FFAR4 (0.44) FFAR4ALDH1A1TDP1TP53POLB
SCHEMBL25969148 0.80 FFAR4 (0.46) FFAR4RBP4TTR
SCHEMBL2691039 0.73 CYP4F2 (0.50) FFAR4ALDH1A1POLBHPGD
SCHEMBL20597539 0.73 ALDH1A1 (0.35) ALDH1A1TDP1MAPTNPC1RAB9A
SCHEMBL25968743 0.72 FFAR4 (0.40) 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