SCHEMBL31487487

SCHEMBL31487487

COc1cccc(C(=O)NC2CC3(CCN(CC4CCN(c5cc(OC)c(NC6CCC(=O)NC6=O)cc5F)CC4)CC3)C2)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.38
MCHR1 Q99705 4/20 0.38
DDB1 Q16531 3/20 0.38
CRBN Q96SW2 3/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
AR P10275 1/20 0.37
DRD4 P21917 5/20 0.37
DRD2 P14416 4/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL31487395 0.96 CCR3 (0.39) CCR3MCHR1DDB1CRBNUSP2
SCHEMBL31487522 0.90 CRBN (0.39) MCHR1DDB1CRBNAR
SCHEMBL31487492 0.90 DRD4 (0.39) CCR3MCHR1DDB1CRBNDRD4
SCHEMBL31487782 0.89 DRD4 (0.39) CCR3MCHR1DDB1CRBNPOLB
SCHEMBL31487447 0.89 AR (0.39) DDB1CRBNAR
SCHEMBL31487523 0.86 CRBN (0.40) MCHR1DDB1CRBNAR
SCHEMBL30965792 0.85 CRBN (0.41) DDB1CRBNARDRD2
SCHEMBL30475450 0.85 DDB1 (0.43) CCR3MCHR1DDB1CRBNUSP2
SCHEMBL31487432 0.85 DRD4 (0.39) CCR3MCHR1CRBNDRD4DRD2
SCHEMBL30965617 0.85 CA1 (0.38) DDB1CRBNARKMT2A

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-119790057-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2025-04-08 CN disclosed