SCHEMBL20156915

SCHEMBL20156915

C=C(c1cc(CN2CCN(C3=CCCC=C3C)CC2)c(C)cc1C)N1CCN(C2=CCCC=C2C)CC1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
ALOX15 P16050 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPK1 P28482 1/20 0.31
PLA2G1B P04054 1/20 0.31
POLB P06746 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
GRIN2B Q13224 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL20157229 0.87
SCHEMBL20157038 0.87 SLC6A7 (0.38) MEN1KMT2AMAPK1POLBKDM4E
SCHEMBL20156912 0.83 FAAH (0.38) LMNAKMT2APOLBSMN1; SMN2KDM4E
SCHEMBL20157533 0.81
SCHEMBL20157051 0.77 KDM4E (0.36) MEN1KMT2AKDM4EALDH1A1
SCHEMBL20157327 0.77
SCHEMBL20156993 0.76 MTOR (0.37) LMNAMAPTMAPK1ALDH1A1
SCHEMBL20156916 0.74
SCHEMBL20156884 0.74 CYP1A2 (0.34) MEN1KMT2ACYP1A2CYP2D6MAPK1
SCHEMBL20157315 0.74 CYP1A2 (0.32) MEN1KMT2ACYP1A2CYP2D6MAPK1

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