SCHEMBL30955008

SCHEMBL30955008

CC1(C(=O)O)CN(C(=O)OCc2ccccc2)CC1(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
CYP2C19 P33261 1/20 0.46
RORC P51449 3/20 0.44
HTR2C P28335 2/20 0.44
KDM1A O60341 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TMEM97 Q5BJF2 3/20 0.42
SIGMAR1 Q99720 3/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
DRD1 P21728 1/20 0.42
HRH2 P25021 1/20 0.42
HTR1B P28222 1/20 0.42

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
SCHEMBL22075574 0.82 KMT2A (0.55) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3919116 0.82 MEN1 (0.55) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL2673587 0.80 KMT2A (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL19766668 0.79 MEN1 (0.55) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL31161624 0.79 MEN1 (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL30954940 0.78 MEN1 (0.43) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL25005728 0.78 MEN1 (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL27033629 0.78 MEN1 (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL23141172 0.78 KMT2A (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL23530629 0.78 MEN1 (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4626546-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2025-10-08 EP disclosed
WO-2024116086-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-06-06 WO disclosed