SCHEMBL20141858

SCHEMBL20141858

N#Cc1ccccc1C1CCN(C(=O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.48
RBP4 P02753 3/20 0.47
SCD5 Q86SK9 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PROKR1 Q8TCW9 1/20 0.44
HSD11B1 P28845 1/20 0.43
GRM5 P41594 1/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
SLC9A1 P19634 1/20 0.42
ADRA1A P35348 2/20 0.42
HCRTR2 O43614 1/20 0.40
ATM Q13315 1/20 0.40
USP30 Q70CQ3 1/20 0.40
BTK Q06187 1/20 0.39
GRM2 Q14416 1/20 0.39
CYP3A4 P08684 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL20140665 0.91 PROKR1 (0.50) DRD4RBP4SCD5MEN1KMT2A
SCHEMBL17672868 0.87 DRD4 (0.42) DRD4RBP4SCD5MEN1KMT2A
SCHEMBL16445706 0.84 PROKR1 (0.57) DRD4PROKR1GRM5ADRA1AHCRTR2
SCHEMBL1513265 0.79 GPR119 (0.57)
SCHEMBL29580963 0.79 ADRA1A (0.49) DRD4KMT2APROKR1ADRA1AHCRTR2
SCHEMBL3167985 0.79 ADRA1A (0.49) DRD4KMT2APROKR1ADRA1AHCRTR2
SCHEMBL10077963 0.79 DRD4 (0.48) DRD4PROKR1ADRA1AGRM2
SCHEMBL28942169 0.79 RBP4 (0.50) RBP4MEN1KMT2ACYP2D6CYP2C19
SCHEMBL2636181 0.78 RBP4 (0.49) RBP4SCD5MEN1KMT2AHSD11B1
SCHEMBL21885656 0.78 BACE1 (0.52) RBP4MEN1KMT2A

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