SCHEMBL31380307

SCHEMBL31380307

Cc1nn(C2CCCCO2)c(C)c1-c1ccc(Cc2ccc3c(n2)C(N)CCC3)nc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
DRD1 P21728 3/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 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
SCHEMBL31380355 0.76 HDAC1 (0.40) DRD1CYP4F2CYP4A11
SCHEMBL31380397 0.72 CYP11B2 (0.36) IRAK4
SCHEMBL31380346 0.72 IRAK4 (0.35) IRAK4
SCHEMBL31380372 0.69 IRAK4 (0.33) IRAK4
SCHEMBL31380312 0.68 MBOAT4 (0.33) IRAK4
SCHEMBL31380405 0.66 IRAK4 (0.36) IRAK4
SCHEMBL31380354 0.66 CYP11B1 (0.38) IRAK4
SCHEMBL31380381 0.65 IRAK4 (0.35) IRAK4
SCHEMBL4073537 0.65 ACHE (0.35) IRAK4
SCHEMBL31380323 0.64 LTA4H (0.37) IRAK4

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-119707931-A Intermediate and synthesis method of 1- (1-oxo-1, 2-dihydro-phthalazin-6-yl) cycloalkyl-1-carboxamide derivatives as MTA synergistic inhibitors of PRMT5 百济神州(北京)生物科技有限公司 2025-03-28 CN disclosed