SCHEMBL8769228

SCHEMBL8769228

CCCCC1(CC)CSc2cc(O)c(OC)cc2N(c2ccccc2)C1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.34
ALDH1A1 P00352 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DRD2 P14416 4/20 0.32
DRD3 P35462 4/20 0.32
TP53 P04637 1/20 0.32
HTR1A P08908 1/20 0.31
ELANE P08246 1/20 0.31
SLC10A2 Q12908 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL8769102 0.92 ALDH1A1 (0.36) ALDH1A1NPSR1GPR55KDM4ELMNA
SCHEMBL26986345 0.90 GAA (0.33) GAALMNAMEN1KMT2AMAPT
SCHEMBL26986255 0.88 FGFR1 (0.36) ALDH1A1NPSR1GPR55KDM4ELMNA
SCHEMBL21589578 0.87 SLC10A2 (0.36) ALDH1A1NPSR1GPR55KDM4ELMNA
SCHEMBL21589813 0.87 ELANE (0.33) GAAKDM4EHTR1AELANEPKM
SCHEMBL21585970 0.86 DRD2 (0.32) ALDH1A1NPSR1GPR55KDM4ELMNA
SCHEMBL21585981 0.86 DRD2 (0.32) ALDH1A1NPSR1GPR55KDM4ELMNA
SCHEMBL30912777 0.86 DRD2 (0.32) ALDH1A1NPSR1GPR55KDM4ELMNA
SCHEMBL21586027 0.86 DRD2 (0.32) ALDH1A1NPSR1GPR55KDM4ELMNA
SCHEMBL8768253 0.86 DRD2 (0.32) ALDH1A1NPSR1GPR55KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792268-A1 HYPOLIPIDEMIC BENZOTHIAZEPINES THE WELLCOME FOUNDATION LIMITED (GB) 1997-09-03 EP claimed
WO-1996016051-A1 HYPOLIPIDEMIC BENZOTHIAZEPINES THE WELLCOME FOUNDATION LIMITED (GB) 1996-05-30 WO claimed
WO-2024008766-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2024-01-11 WO disclosed
WO-2020161216-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2020-08-13 WO disclosed
WO-2019234077-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2019-12-12 WO disclosed