SCHEMBL20157310

SCHEMBL20157310

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPK1 P28482 1/20 0.32
POLB P06746 2/20 0.32
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
GAA P10253 2/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MTNR1A P48039 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
BRD4 O60885 1/20 0.30
HTR6 P50406 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
SCHEMBL20156884 0.95 CYP1A2 (0.34) SMN1; SMN2CYP1A2CYP2D6MAPK1POLB
SCHEMBL20157338 0.90 POLB (0.33) SMN1; SMN2CYP1A2CYP2D6MAPK1POLB
SCHEMBL20157313 0.90 CYP1A2 (0.32) CYP1A2CYP2D6MAPK1POLBPLA2G1B
SCHEMBL20157224 0.89 CYP1A2 (0.31) CYP1A2CYP2D6MAPK1POLBPLA2G1B
SCHEMBL20157030 0.89 CYP1A2 (0.31) SMN1; SMN2CYP1A2CYP2D6MAPK1POLB
SCHEMBL20157536 0.88 CYP1A2 (0.31) CYP1A2CYP2D6MAPK1POLBPLA2G1B
SCHEMBL20157544 0.88 CYP1A2 (0.31) CYP1A2CYP2D6MAPK1POLBPLA2G1B
SCHEMBL20157299 0.88 CYP1A2 (0.31) CYP1A2CYP2D6MAPK1POLBPLA2G1B
SCHEMBL20157072 0.88 CYP1A2 (0.31) CYP1A2CYP2D6MAPK1POLBPLA2G1B
SCHEMBL20157538 0.87 CYP1A2 (0.30) CYP1A2CYP2D6MAPK1POLBPLA2G1B

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