SCHEMBL20140665

SCHEMBL20140665

N#Cc1ccccc1[C@@H]1CCN(C(=O)O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 1/20 0.50
SCD5 Q86SK9 1/20 0.45
DRD4 P21917 1/20 0.44
USP30 Q70CQ3 1/20 0.43
ADRA1A P35348 2/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
RBP4 P02753 1/20 0.42
HSD11B1 P28845 2/20 0.41
ATM Q13315 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HCRTR2 O43614 1/20 0.41
GRM5 P41594 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL16445706 0.93 PROKR1 (0.57) PROKR1DRD4USP30ADRA1AALDH1A1
SCHEMBL20141858 0.91 DRD4 (0.48) PROKR1SCD5DRD4USP30ADRA1A
SCHEMBL20140722 0.80 GPR119 (0.53) PROKR1USP30ALDH1A1MAPTMEN1
SCHEMBL19404952 0.80 GPR119 (0.53) PROKR1USP30ALDH1A1MAPTMEN1
SCHEMBL25257149 0.79 PTGDR (0.44) PROKR1USP30RAB9ANPC1SMN1; SMN2
SCHEMBL17672868 0.79 DRD4 (0.42) PROKR1SCD5DRD4TP53ALDH1A1
SCHEMBL16446718 0.78 PROKR1 (0.54) PROKR1USP30ADRA1ARBP4
SCHEMBL3183837 0.76 RAB9A (0.67) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL3184817 0.76 RAB9A (0.67) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL3183827 0.76 RAB9A (0.67) RAB9ANPC1SMN1; SMN2TP53ALDH1A1

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