SCHEMBL31367098

SCHEMBL31367098

CCCCOC(=O)N1CCC(c2c(C)c(Cl)cc(C(C)Cl)c2OC)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.39
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
LMNA P02545 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 2/20 0.37
CHRM2 P08172 2/20 0.36
CHRM1 P11229 1/20 0.36
PDE4B Q07343 1/20 0.36
HTT P42858 2/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 3/20 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
SCHEMBL14736413 0.83 PIK3CD (0.44) PIK3CDSMN1; SMN2MAPK1ALDH1A1L3MBTL1
SCHEMBL14736911 0.82 MAPT (0.46) PIK3CDLMNAPDE4BHTTMAPT
SCHEMBL19157185 0.82 PIK3CD (0.43) PIK3CDNOS1NOS2SMN1; SMN2PDE4B
SCHEMBL14736001 0.74 PIK3CD (0.44) PIK3CDSMN1; SMN2PDE4BALDH1A1L3MBTL1
SCHEMBL14736691 0.74 PIK3CD (0.42) PIK3CD
SCHEMBL14735938 0.72 PIK3CD (0.41) PIK3CDPDE4BHTTMAPTMAPK1
SCHEMBL21174644 0.71 PIK3CD (0.39) PIK3CD
SCHEMBL14735979 0.67 GLRA1 (0.41) PIK3CDSMN1; SMN2POLBCHRM1PDE4B
SCHEMBL14736290 0.66 PIK3CD (0.42) PIK3CD
SCHEMBL31150613 0.66 ALDH1A1 (0.49) LMNASMN1; SMN2POLBCHRM2CHRM1

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
EP-3888657-B1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE HOLDINGS CORP (US) 2025-03-19 EP disclosed