SCHEMBL20141738

SCHEMBL20141738

COc1ccccc1N(c1cc(C(=O)O)c(C)cc1C)C1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.40
SLC6A4 P31645 7/20 0.40
KCNH2 Q12809 4/20 0.38
HTR2C P28335 2/20 0.38
SLC6A3 Q01959 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
CCR8 P51685 1/20 0.36
MBTPS1 Q14703 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
CYP2D6 P10635 2/20 0.35
BRPF1 P55201 1/20 0.35

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
SCHEMBL20141613 0.90 SLC6A2 (0.38) SLC6A2SLC6A4KCNH2HTR2COPRM1
SCHEMBL20141346 0.88 SLC6A2 (0.44) SLC6A2SLC6A4KCNH2SLC6A3CYP2D6
SCHEMBL20140980 0.88 SLC6A2 (0.36) SLC6A2SLC6A4KCNH2SLC6A3CYP2D6
SCHEMBL20140898 0.84 SLC6A4 (0.41) SLC6A2SLC6A4KCNH2SLC6A3CYP2D6
SCHEMBL20140944 0.81 OPRM1 (0.40) SLC6A2SLC6A4HTR2CSLC6A3OPRM1
SCHEMBL20141026 0.80 NR1I2 (0.41) SLC6A2SLC6A4KCNH2CCR8HPGD
SCHEMBL20140900 0.80 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL20141216 0.78 SLC6A2 (0.38) SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL20141214 0.78 SLC6A2 (0.38) SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL20141181 0.77 SLC6A4 (0.41) SLC6A2SLC6A4KCNH2SLC6A3CYP2D6

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