SCHEMBL30802476

SCHEMBL30802476

CCCCOC(=O)N1CCC(N(CCO)C(=O)OCc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CCR5 P51681 10/20 0.48
CYP2C19 P33261 1/20 0.47
HTR2A P28223 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
PTPN11 Q06124 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43

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
SCHEMBL30802358 0.89 CCR5 (0.48) SMN1; SMN2NPC1RAB9ACCR5CYP2C19
SCHEMBL30802466 0.85 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ACCR5CYP2C19
SCHEMBL30802348 0.84 GPR119 (0.49) SMN1; SMN2NPC1RAB9ACCR5HTT
SCHEMBL20660332 0.82 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACCR5CYP2C19
SCHEMBL32691106 0.80 CCR6 (0.46) SMN1; SMN2NPC1RAB9ACCR5CYP2C19
SCHEMBL30802318 0.80 GPR119 (0.48) SMN1; SMN2NPC1RAB9ACCR5HTT
SCHEMBL30802304 0.80 GPR119 (0.48) SMN1; SMN2NPC1RAB9ACCR5HTT
SCHEMBL7134804 0.80 CCR5 (0.51) SMN1; SMN2NPC1RAB9ACCR5HTT
SCHEMBL7299227 0.79 L3MBTL1 (0.59) SMN1; SMN2NPC1RAB9ACYP2C19HTR2A
Hydrochloric Acid SCHEMBL20495102 0.79 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACCR5CYP2C19

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-2024054512-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2024-03-14 WO disclosed