SCHEMBL31184832

SCHEMBL31184832

Cc1cccc2c1CN(C1CCC(C(=O)Nc3ccn(C)c(=O)c3)CC1)C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3C3 Q8NEB9 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TYK2 P29597 1/20 0.37
▸ GRM1 Q13255 1/20 0.36
▸ USP2 O75604 2/20 0.36
▸ MAPK14 Q16539 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL31184979 0.86 ALDH1A1 (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL31184520 0.85 KMT2A (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL31185049 0.84 ALDH1A1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL31184657 0.84 ALDH1A1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL31184763 0.83 EPHX2 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL31184399 0.83 ALDH1A1 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL31184994 0.83 GRM1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL31185026 0.83 KMT2A (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL31184751 0.83 MTNR1A (0.53) ALDH1A1MAPTTSHRKMT2AKDM4E
SCHEMBL31184655 0.83 SMN1; SMN2 (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT

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-2024220626-A1 SMALL MOLECULE MODULATORS OF OGG1 AZKARRA THERAPEUTICS, INC. (US) 2024-10-24 — — WO disclosed
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