SCHEMBL30782897

SCHEMBL30782897

COC(=O)c1ccc(-c2cccc3c2CCCC3CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
ACACB O00763 3/20 0.37
ACACA Q13085 3/20 0.37
KMT2A Q03164 1/20 0.36
DRD2 P14416 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDCD1 Q15116 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
SCHEMBL30782838 0.78 ACACB (0.41) HTR6KDM4CACACBACACA
SCHEMBL7354004 0.78 TRPV1 (0.46) HTR6KMT2ADRD2MTNR1AMTNR1B
SCHEMBL24620025 0.75 CYP11B2 (0.45)
SCHEMBL29771902 0.75 CYP11B2 (0.45)
SCHEMBL30782827 0.73 BRD4 (0.36) HTR6KDM4C
SCHEMBL30782918 0.72 HTR6 (0.37) HTR6
SCHEMBL20718182 0.71 ACACB (0.43) ACACBACACAKMT2AKDM4EALDH1A1
SCHEMBL20718183 0.71 ACACB (0.43) ACACBACACAKMT2AKDM4EALDH1A1
SCHEMBL20718184 0.71 ACACB (0.43) ACACBACACAKMT2AKDM4EALDH1A1
SCHEMBL29980863 0.71 ACACB (0.43) ACACBACACAKMT2AKDM4EALDH1A1

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
EP-4593954-A1 COMPOUNDS FOR THE TREATMENT OF A CENTRAL NERVOUS SYSTEM DISEASE OR DISORDER PGI Drug Discovery LLC (US) 2025-08-06 EP disclosed
WO-2024073383-A1 COMPOUNDS FOR THE TREATMENT OF A CENTRAL NERVOUS SYSTEM DISEASE OR DISORDER PGI DRUG DISCOVERY LLC (US) 2024-04-04 WO disclosed