SCHEMBL20141303

SCHEMBL20141303

O=C(O)N1CCN(c2ccccc2)[C@@H](CCO)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA4 P22748 4/20 0.41
CA9 Q16790 4/20 0.41
ADAMTS5 Q9UNA0 8/20 0.39
NOTUM Q6P988 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MMP2 P08253 2/20 0.37
ALDH1A1 P00352 1/20 0.37
FFAR1 O14842 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL20141301 0.88 MAPK1 (0.42) MAPK1ADAMTS5NOTUMMAPTLMNA
SCHEMBL21360343 0.82 GPR119 (0.50)
SCHEMBL6904992 0.78 MAPK1 (0.55) MAPK1ADAMTS5MAPTLMNAMMP2
SCHEMBL20141248 0.78 CACNA1G (0.39) MAPK1ADAMTS5MAPTLMNAALDH1A1
SCHEMBL23496804 0.77 CA1 (0.65) CA1CA2CA4CA9LMNA
SCHEMBL29111200 0.77 CA1 (0.65) CA1CA2CA4CA9LMNA
SCHEMBL23198268 0.76 AGTR2 (0.44) MAPK1NOTUMMAPTLMNANPSR1
SCHEMBL20141914 0.76 AGTR2 (0.44) MAPK1NOTUMMAPTLMNANPSR1
SCHEMBL20141927 0.76 AGTR2 (0.44) MAPK1NOTUMMAPTLMNANPSR1
SCHEMBL20141063 0.75 RORC (0.42) MAPK1CA1CA2CA9ADAMTS5

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