SCHEMBL28889243

SCHEMBL28889243

CNC(=O)NC(=O)C(c1cc(C2CC2)ccn1)c1ccccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.36
OPRL1 P41146 5/20 0.36
IDO1 P14902 2/20 0.36
BRD4 O60885 1/20 0.35
CTSA P10619 2/20 0.34
DHODH Q02127 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MAPK14 Q16539 1/20 0.33
ROCK2 O75116 1/20 0.33

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
SCHEMBL28889244 0.90 IDO1 (0.35) OPRM1OPRL1IDO1BRD4CTSA
SCHEMBL29941833 0.88 HDAC4 (0.41) DHODHMAPK14
SCHEMBL28889189 0.84 CTSA (0.45) OPRM1OPRL1CTSAL3MBTL1
SCHEMBL28889272 0.81 OPRL1 (0.38) OPRM1OPRL1IDO1DHODH
SCHEMBL29941884 0.81 SMARCA2 (0.38) BRD4CTSAL3MBTL1MAPK14
SCHEMBL28889319 0.80 ADRB2 (0.41) L3MBTL1MAPK14
SCHEMBL28889296 0.78 HDAC4 (0.40) DHODHMAPK14
SCHEMBL29941704 0.73 ADRB2 (0.39) CTSAL3MBTL1MAPK14
SCHEMBL28889168 0.73 CTSA (0.43) OPRM1OPRL1CTSAL3MBTL1
SCHEMBL28889217 0.70 ALDH1A1 (0.50) OPRM1OPRL1

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
CN-115215862-A Pyrimidone compounds and uses thereof 武汉人福创新药物研发中心有限公司 2022-10-21 CN disclosed