SCHEMBL20140980

SCHEMBL20140980

Cc1cc(C)c(N(c2ccccc2OC(F)F)C2CCNCC2)cc1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.36
SLC6A4 P31645 13/20 0.36
KCNH2 Q12809 5/20 0.36
CYP2D6 P10635 4/20 0.35
SLC6A3 Q01959 5/20 0.34
BACE1 P56817 1/20 0.34
NR1I2 O75469 1/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
PTGER1 P34995 1/20 0.33

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
SCHEMBL20141026 0.90 NR1I2 (0.41) SLC6A2SLC6A4KCNH2CYP2D6NR1I2
SCHEMBL20141738 0.88 SLC6A2 (0.40) SLC6A2SLC6A4KCNH2CYP2D6SLC6A3
SCHEMBL20141346 0.86 SLC6A2 (0.44) SLC6A2SLC6A4KCNH2CYP2D6SLC6A3
SCHEMBL20140898 0.81 SLC6A4 (0.41) SLC6A2SLC6A4KCNH2CYP2D6SLC6A3
SCHEMBL20141613 0.78 SLC6A2 (0.38) SLC6A2SLC6A4KCNH2
SCHEMBL20140900 0.77 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL20140938 0.76 MTOR (0.63)
SCHEMBL20141180 0.76 SLC6A2 (0.41) SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL20141216 0.75 SLC6A2 (0.38) SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL20141214 0.75 SLC6A2 (0.38) SLC6A2SLC6A4KCNH2SLC6A3

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-3538091-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF Navitor Pharmaceuticals, Inc. (US) 2019-09-18 EP disclosed
WO-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed