SCHEMBL25827593

SCHEMBL25827593

O=C1CC(=O)N(C2CCCC2)C(=O)N1C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
CREBBP Q92793 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
CYP3A4 P08684 1/20 0.42
KMT2A Q03164 1/20 0.42
OPRL1 P41146 3/20 0.41
OPRM1 P35372 2/20 0.41
OPRK1 P41145 2/20 0.41
TSHR P16473 1/20 0.41
BBOX1 O75936 1/20 0.40
ASPH Q12797 1/20 0.40
KDM8 Q8N371 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40

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
SCHEMBL3420466 0.98 CYP2C9 (0.47) CYP2C9CYP2C19LMNAMAPTALOX15
SCHEMBL3422430 0.98 CYP2C9 (0.47) CYP2C9CYP2C19LMNAMAPTALOX15
SCHEMBL3420479 0.86 MAPT (0.40) CYP2C9CYP2C19LMNAMAPTALOX15
SCHEMBL5449381 0.83 OPRL1 (0.52) CYP2C9CYP2C19LMNAMAPTALOX15
SCHEMBL14045645 0.81 CYP2C9 (0.53) CYP2C9CYP2C19LMNAMAPTALOX15
SCHEMBL8115295 0.81 ALDH1A1 (0.34) CYP2C9CYP2C19LMNAMAPTALOX15
SCHEMBL11868542 0.79 LMNA (0.46) CYP2C9CYP2C19LMNAMAPTALDH1A1
SCHEMBL5448789 0.79 ALDH1A1 (0.46) CYP2C9CYP2C19LMNAMAPTALOX15
SCHEMBL9749352 0.78 KMT2A (0.43) CYP2C9CYP2C19LMNAMAPTALOX15
SCHEMBL8822655 0.78 ALDH1A1 (0.35) CYP2C9CYP2C19LMNAMAPTALOX15

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-2023125792-A1 MULTI-SUBSTITUTED URACIL DERIVATIVE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 杭州奥默医药股份有限公司 2023-07-06 WO disclosed