SCHEMBL31056879

SCHEMBL31056879

COC(=O)c1ccc(C2CN(C(=O)OCc3ccccc3)CCN2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
PDE4B Q07343 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HTT P42858 1/20 0.41
CYP2C19 P33261 1/20 0.39
USP30 Q70CQ3 1/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38

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
SCHEMBL31056541 0.90 TMEM97 (0.44) TMEM97SIGMAR1PDE4BSMN1; SMN2NPC1
SCHEMBL31056469 0.90 TMEM97 (0.44) TMEM97SIGMAR1PDE4BSMN1; SMN2NPC1
SCHEMBL4030424 0.85 TMEM97 (0.46) TMEM97SIGMAR1PDE4BSMN1; SMN2NPC1
SCHEMBL4982385 0.83 PDE4B (0.55) PDE4BSMN1; SMN2NPC1RAB9AHTT
SCHEMBL31263683 0.82 USP30 (0.43) PDE4BUSP30
SCHEMBL31269614 0.81 SMN1; SMN2 (0.44) TMEM97SIGMAR1PDE4BSMN1; SMN2NPC1
SCHEMBL4781078 0.81 SMN1; SMN2 (0.53) TMEM97SIGMAR1PDE4BSMN1; SMN2NPC1
SCHEMBL31056845 0.80 SMN1; SMN2 (0.48) TMEM97SIGMAR1PDE4BSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL31056645 0.79 SMN1; SMN2 (0.47) TMEM97SIGMAR1PDE4BSMN1; SMN2NPC1
SCHEMBL4023143 0.79 SMN1; SMN2 (0.45) TMEM97SIGMAR1SMN1; SMN2NPC1RAB9A

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