SCHEMBL20140971

SCHEMBL20140971

O=C(O)[C@H]1CNCCN1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.53
SLC6A4 P31645 4/20 0.53
SLC6A3 Q01959 4/20 0.53
ADRB1 P08588 3/20 0.45
SIGMAR1 Q99720 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
HTR2C P28335 8/20 0.42
HTR2B P41595 7/20 0.42
HTR2A P28223 5/20 0.42
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SLC18A3 Q16572 1/20 0.39
NOTUM Q6P988 1/20 0.39

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
SCHEMBL9396845 1.00 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3ADRB1SIGMAR1
Hydrochloric Acid SCHEMBL20140710 0.98 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3ADRB1SIGMAR1
SCHEMBL27529782 0.90 SLC6A4 (0.53) SLC6A2SLC6A4SLC6A3ADRB1SIGMAR1
SCHEMBL21360355 0.87 SLC6A4 (0.50) SLC6A2SLC6A4SLC6A3ADRB1SIGMAR1
SCHEMBL4238187 0.87 SLC6A4 (0.50) SLC6A2SLC6A4SLC6A3ADRB1SIGMAR1
SCHEMBL20140984 0.87 SLC6A4 (0.50) SLC6A2SLC6A4SLC6A3ADRB1SIGMAR1
SCHEMBL8248575 0.87 HTR7 (0.52) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL5394683 0.86 NOTUM (0.43) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL27613840 0.86 HTR3E (0.45) SLC6A2SLC6A4SLC6A3ADRB1SIGMAR1
SCHEMBL8595770 0.86 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3ADRB1SIGMAR1

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