SCHEMBL31480243

SCHEMBL31480243

COC(=O)c1ccc(C2CC3(CCN2)CC(F)(F)C3)c(N2CCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 6/20 0.39
LMNA P02545 2/20 0.39
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.36
XIAP P98170 1/20 0.35
BIRC2 Q13490 1/20 0.35
ERAP2 Q6P179 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL31480400 0.98 KDM4E (0.41) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL31480395 0.91 NISCH (0.34) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL31480601 0.89 NISCH (0.35) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL31480447 0.80 MAPT (0.33) KDM4ERAB9ANPSR1ALDH1A1LMNA
SCHEMBL31480436 0.80 VCAM1 (0.42) KDM4ESMN1; SMN2NPSR1ALDH1A1LMNA
SCHEMBL31480467 0.80 ALDH1A1 (0.35) KDM4ENPSR1ALDH1A1LMNAALOX15
SCHEMBL31480315 0.79 NISCH (0.37) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL31480357 0.78 KDM4E (0.51) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL31480606 0.78 CRBN (0.33)
SCHEMBL25318693 0.78 NPC1 (0.40) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1

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-2025054361-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2025-03-13 WO disclosed