SCHEMBL24201848

SCHEMBL24201848

CC(C)(C)CC(=O)N1c2ccccc2CC1CO

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.53
DRD4 P21917 5/20 0.53
NOTUM Q6P988 1/20 0.49
ALDH1A1 P00352 5/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
AKT1 P31749 2/20 0.44
CYP2D6 P10635 1/20 0.43
PKM P14618 1/20 0.42

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
SCHEMBL14200380 0.86 NOTUM (0.47) DRD2DRD4NOTUMALDH1A1NPC1
SCHEMBL29571640 0.81 DRD2 (0.47) DRD2DRD4NOTUMALDH1A1NPC1
SCHEMBL3061256 0.81 DRD2 (0.47) DRD2DRD4NOTUMALDH1A1NPC1
SCHEMBL30681381 0.81 DRD2 (0.47) DRD2DRD4NOTUMALDH1A1NPC1
SCHEMBL1760601 0.81 DRD2 (0.47) DRD2DRD4NOTUMALDH1A1NPC1
SCHEMBL30390423 0.81 DRD2 (0.47) DRD2DRD4NOTUMALDH1A1NPC1
SCHEMBL30681441 0.79 DRD2 (0.53) DRD2DRD4NOTUMALDH1A1NPC1
SCHEMBL7554164 0.79 DRD2 (0.53) DRD2DRD4NOTUMALDH1A1NPC1
SCHEMBL4289075 0.79 DRD2 (0.53) DRD2DRD4NOTUMALDH1A1NPC1
SCHEMBL14200379 0.76 MTNR1A (0.50) PKM

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
EP-3939981-A1 FUSED THIAZOLOPYRIMIDINE DERIVATIVES AS MNKS INHIBITORS LifeArc (GB) 2022-01-19 EP disclosed