SCHEMBL28147246

SCHEMBL28147246

CC(C)(C)C(=O)ON1CCC(c2cc(F)cc(F)c2C(F)(F)F)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 18/20 0.49
RIPK1 Q13546 1/20 0.37
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
SLC9A1 P19634 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL28146207 0.84 RBP4 (0.48) RBP4CYP3A4CYP2C9CYP2C19
SCHEMBL17223054 0.83 RBP4 (0.52) RBP4
SCHEMBL29915715 0.83 RBP4 (0.52) RBP4
SCHEMBL28146200 0.81 RBP4 (0.50) RBP4
SCHEMBL28146205 0.80 RBP4 (0.48) RBP4CYP3A4CYP2C9SLC9A1CYP2C19
SCHEMBL17224429 0.79 RBP4 (0.53) RBP4CYP3A4CYP2C9SLC9A1CYP2C19
SCHEMBL17232804 0.78 RBP4 (0.52) RBP4CYP3A4CYP2C9SLC9A1CYP2C19
SCHEMBL28787308 0.76 DRD4 (0.42) CYP3A4CYP2C9SLC9A1CYP2C19KCNH2
SCHEMBL28844206 0.76 RBP4 (0.46) RBP4SLC9A1
SCHEMBL28024911 0.75 GPR119 (0.40) CYP3A4CYP2C9SLC9A1CYP2C19KCNH2

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
CN-106794364-A Substituted 4-phenylpiperidines, their preparation and use 哥伦比亚大学董事会 2017-05-31 CN disclosed