SCHEMBL20141346

SCHEMBL20141346

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.44
SLC6A4 P31645 15/20 0.44
SLC6A3 Q01959 4/20 0.36
KCNH2 Q12809 4/20 0.36
CXCR2 P25025 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
CYP2D6 P10635 2/20 0.33
ADRB3 P13945 1/20 0.33
ADRA2B P18089 1/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
ADRA1B P35368 1/20 0.33
P2RY14 Q15391 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 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
SCHEMBL20140900 0.90 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3CXCR2PPARG
SCHEMBL20141738 0.88 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL20140980 0.86 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL20140898 0.81 SLC6A4 (0.41) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL20141613 0.78 SLC6A2 (0.38) SLC6A2SLC6A4KCNH2
SCHEMBL20141026 0.77 NR1I2 (0.41) SLC6A2SLC6A4KCNH2CYP2D6
SCHEMBL20141254 0.76 MTOR (0.53) SLC6A2SLC6A4
SCHEMBL20555953 0.76 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KCNH2CXCR2
SCHEMBL20141214 0.75 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL20141216 0.75 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3KCNH2

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