SCHEMBL23539710

SCHEMBL23539710

CNC(=O)NNC(=O)c1ccc(F)cn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
NOTUM Q6P988 1/20 0.40
P4HTM Q9NXG6 2/20 0.40
HTR1F P30939 1/20 0.40
GRM5 P41594 1/20 0.39
GRM4 Q14833 2/20 0.38
TLR7 Q9NYK1 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
PDE4D Q08499 1/20 0.37
BACE1 P56817 2/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL428478 0.84 NPC1 (0.49) ALDH1A1SMN1; SMN2NPC1GAARAB9A
SCHEMBL12579446 0.76 TRPA1 (0.44) ALDH1A1SMN1; SMN2NPC1GAARAB9A
SCHEMBL23539571 0.74 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2GAARAB9AKDM4E
SCHEMBL108305 0.74 P2RX7 (0.50) ALDH1A1SMN1; SMN2NPC1GAARAB9A
SCHEMBL25369351 0.74 GAA (0.55) ALDH1A1SMN1; SMN2NPC1GAARAB9A
SCHEMBL31698755 0.74 GAA (0.55) ALDH1A1SMN1; SMN2NPC1GAARAB9A
SCHEMBL23708908 0.73 CNR1 (0.46) ALDH1A1SMN1; SMN2NPC1GAARAB9A
SCHEMBL29503927 0.73 ANO1 (0.47) ALDH1A1SMN1; SMN2NPC1GAARAB9A
SCHEMBL19249270 0.73 GRM5 (0.55) ALDH1A1SMN1; SMN2NPC1GAARAB9A
SCHEMBL6419679 0.73 ANO1 (0.47) ALDH1A1SMN1; SMN2NPC1GAARAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021127459-A1 GPR139 RECEPTOR MODULATORS BLACKTHORN THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021127459-A1 GPR139 RECEPTOR MODULATORS BLACKTHORN THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed