SCHEMBL23933259

SCHEMBL23933259

NC/C=C/CNC(=O)OC1(c2ccccc2)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC6A4 P31645 1/20 0.36
KDM4E B2RXH2 1/20 0.36
DPP4 P27487 1/20 0.36
AKR1C1 Q04828 1/20 0.36
DRD3 P35462 1/20 0.35
HDAC4 P56524 2/20 0.35
SLC6A2 P23975 1/20 0.35
ERCC1 P07992 1/20 0.35
ERCC4 Q92889 1/20 0.35
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL23992085 0.95 SLC6A4 (0.38) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL23992092 0.78 GPR55 (0.39) SMN1; SMN2HTTDRD3
SCHEMBL6245232 0.74 FAAH (0.48) LMNASMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL28391947 0.72 OPRM1 (0.44) MEN1KMT2ASLC6A4DPP4AKR1C1
SCHEMBL11289324 0.71 AKR1C1 (0.48) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL23992069 0.71 CYP19A1 (0.33)
SCHEMBL21620361 0.71 LMNA (0.56) LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL6036843 0.70 AKR1C1 (0.52) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL23992113 0.70
SCHEMBL26939253 0.70 OPRM1 (0.45) LMNASMN1; SMN2HTTMEN1KMT2A

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
WO-2021217040-A1 CARBAMATE AND UREA DERIVATIVES IMMVENTION THERAPEUTIX (US) 2021-10-28 WO claimed
WO-2021217040-A1 CARBAMATE AND UREA DERIVATIVES IMMVENTION THERAPEUTIX (US) 2021-10-28 WO disclosed