SCHEMBL31056754

SCHEMBL31056754

COC(=O)c1ccc(C2CN(CC(F)F)CCN2)c2c1OCCO2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 3/20 0.34
XIAP P98170 1/20 0.32
BIRC2 Q13490 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
HTR1D P28221 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
HTR2B P41595 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
MLNR O43193 1/20 0.30
PKM P14618 1/20 0.30
CCR3 P51677 1/20 0.30
TMEM97 Q5BJF2 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
SCHEMBL29323710 0.89 MAP4K1 (0.32) XIAPBIRC2SLC6A2SLC6A4
SCHEMBL31056780 0.89 MAP4K1 (0.32) XIAPBIRC2SLC6A2SLC6A4
SCHEMBL29324071 0.83 SCN1A (0.32)
SCHEMBL31056713 0.83 SCN1A (0.32)
SCHEMBL29323240 0.79 CA12 (0.39) XIAPBIRC2KDM4EALDH1A1LMNA
SCHEMBL29322208 0.78 PARP1 (0.38) XIAPBIRC2
SCHEMBL29320165 0.76 XIAP (0.34) XIAPBIRC2KDM4EALDH1A1MLNR
SCHEMBL31056638 0.75 CD274 (0.34) XIAPBIRC2KDM4EALDH1A1HSD17B10
SCHEMBL31269556 0.75 XIAP (0.41) XIAPBIRC2KDM4EALDH1A1LMNA
SCHEMBL30109209 0.75 XIAP (0.41) XIAPBIRC2KDM4EALDH1A1LMNA

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-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed