SCHEMBL20157038

SCHEMBL20157038

C=C(c1cc(CN2CCN(C3=CCCC=C3C)CC2)c(C)cc1C)N1CCN(c2nccc(C)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.38
SORD Q00796 2/20 0.34
OGA O60502 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 3/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
GBA1 P04062 1/20 0.32
MAPK1 P28482 1/20 0.32
RXFP1 Q9HBX9 2/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL20157214 0.88 SLC6A7 (0.36) SLC6A7SORDMEN1KMT2AKDM4E
SCHEMBL20156915 0.87 LMNA (0.33) MEN1KMT2AKDM4EHPGDMAPK1
SCHEMBL20157229 0.75
SCHEMBL20156912 0.74 FAAH (0.38) KMT2AKDM4EPOLBALDH1A1
SCHEMBL20157037 0.73 SLC6A7 (0.52) SLC6A7MEN1KMT2AKDM4EHPGD
SCHEMBL20157051 0.72 KDM4E (0.36) SLC6A7MEN1KMT2AKDM4EALDH1A1
SCHEMBL20157533 0.70
SCHEMBL20157327 0.68
SCHEMBL20156993 0.66 MTOR (0.37) MAPK1ALDH1A1
SCHEMBL20157292 0.65 MCHR1 (0.31)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed