SCHEMBL20157232

SCHEMBL20157232

C=C(c1cc(CN2CCN(/C(=C/C)CCC)CC2)c(C)cc1C)N1CCN(/C(=C/CC)CC)CC1

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPK1 P28482 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL20157538 0.88 CYP1A2 (0.30) CYP1A2CYP2D6MAPK1MEN1KMT2A
SCHEMBL20157224 0.88 CYP1A2 (0.31) CYP1A2CYP2D6MAPK1
SCHEMBL20157216 0.88 CYP1A2 (0.31) CYP1A2CYP2D6MAPK1
SCHEMBL20157024 0.84
SCHEMBL20157047 0.83
SCHEMBL20156884 0.80 CYP1A2 (0.34) CYP1A2CYP2D6MAPK1MEN1KMT2A
SCHEMBL20157194 0.79
SCHEMBL20157310 0.77 SMN1; SMN2 (0.32) CYP1A2CYP2D6MAPK1
SCHEMBL20157313 0.76 CYP1A2 (0.32) CYP1A2CYP2D6MAPK1MEN1KMT2A
SCHEMBL20157338 0.76 POLB (0.33) CYP1A2CYP2D6MAPK1MEN1KMT2A

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