SCHEMBL20141412

SCHEMBL20141412

O=C(O)NCC1CNCCN1c1cccnn1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.43
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
GLS O94925 1/20 0.36
HTR1D P28221 1/20 0.36
SLC6A7 Q99884 1/20 0.35
CHRNA7 P36544 2/20 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
SCHEMBL20129737 0.83 ADRB1 (0.38) ADRB1CHRNA7
SCHEMBL20141335 0.83 ADRB1 (0.38) ADRB1CHRNA7
SCHEMBL21360312 0.81 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL22186925 0.76 ADRB1 (0.33) ADRB1CHRNA7
SCHEMBL20142347 0.72 HTR2C (0.43)
SCHEMBL27705052 0.70 HDAC8 (0.44) SLC6A2SLC6A4SLC6A3SLC6A7
Hydrochloric Acid SCHEMBL10773342 0.68 PLD1 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL20141133 0.67 ADAMTS5 (0.36) SLC6A2SLC6A3GLSHTR1DSLC6A7
SCHEMBL20141438 0.66 MTOR (0.45) GLSHTR1DSLC6A7
SCHEMBL21360320 0.64 PLD1 (0.54) SLC6A2SLC6A4SLC6A3

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