SCHEMBL30954946

SCHEMBL30954946

COCC1(NS(C)(=O)=O)CCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
RORC P51449 3/20 0.46
KDM1A O60341 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TMEM97 Q5BJF2 3/20 0.43
SIGMAR1 Q99720 3/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
DRD1 P21728 1/20 0.43
HRH2 P25021 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR1E P28566 1/20 0.43

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
SCHEMBL23121006 0.80 HTT (0.44) SMN1; SMN2NPC1RAB9ARORCKDM1A
SCHEMBL11565926 0.80 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AKDM1AMEN1
SCHEMBL26926130 0.78 CTSB (0.43) SMN1; SMN2NPC1RAB9AKDM1AMEN1
SCHEMBL16212149 0.77 KDM1A (0.54) SMN1; SMN2NPC1RAB9ARORCKDM1A
SCHEMBL31024591 0.77 KDM1A (0.54) SMN1; SMN2NPC1RAB9ARORCKDM1A
SCHEMBL15504877 0.76 MEN1 (0.57) SMN1; SMN2NPC1RAB9ARORCKDM1A
SCHEMBL30732662 0.76 MEN1 (0.42) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL30954940 0.76 MEN1 (0.43) SMN1; SMN2NPC1RAB9ARORCKDM1A
SCHEMBL6285065 0.75 MEN1 (0.53) SMN1; SMN2NPC1RAB9ARORCKDM1A
SCHEMBL631190 0.75 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ARORCKDM1A

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