SCHEMBL25901221

SCHEMBL25901221

COC(=O)c1ccc([C@@H]2CC3(CCN2)CCC(F)(F)C3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 3/20 0.38
HSD17B10 Q99714 3/20 0.38
HPGD P15428 2/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
ATM Q13315 2/20 0.38
GLA P06280 1/20 0.38
TSHR P16473 3/20 0.36
MAPK1 P28482 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL25316946 1.00 NPC1 (0.39) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL25901214 1.00 NPC1 (0.39) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL25316427 1.00 NPC1 (0.39) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL25319179 1.00 NPC1 (0.39) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL25901215 1.00 NPC1 (0.39) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL25318728 1.00 NPC1 (0.39) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL31140806 0.93 NPC1 (0.40) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL25901195 0.93 NPC1 (0.40) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL25318693 0.93 NPC1 (0.40) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL16400464 0.89 NPC1 (0.45) NPC1RAB9ASMN1; SMN2HTTMEN1

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-2023139534-A1 SPIROCYCLIC PIPERIDINYL DERIVATIVES AS COMPLEMENT FACTOR B INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2023-07-27 WO disclosed