SCHEMBL21963945

SCHEMBL21963945

COC1(C(=O)O)CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
CYP2C19 P33261 1/20 0.54
HTT P42858 1/20 0.52
KDM1A O60341 2/20 0.50
OPRD1 P41143 1/20 0.50
OPRK1 P41145 1/20 0.50
SCN5A Q14524 1/20 0.48
SCN9A Q15858 1/20 0.48
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
ENPP2 Q13822 1/20 0.48
ATXN2 Q99700 1/20 0.48
HTR2C P28335 2/20 0.46

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
SCHEMBL31566997 0.93 MEN1 (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL28854721 0.89 SMN1; SMN2 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL23578981 0.89 SMN1; SMN2 (0.59) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL2592306 0.87 MEN1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL10700302 0.86 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL2280847 0.86 SMN1; SMN2 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL31566797 0.86 SMN1; SMN2 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL31566888 0.86 SMN1; SMN2 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL631455 0.84 MEN1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL31566555 0.84 MEN1 (0.50) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115135642-B Inhibitors of EGFR mutant forms 缆图药品公司 2025-03-04 CN disclosed
EP-4081515-A1 INHIBITORS OF MUTANT FORMS OF EGFR Blueprint Medicines Corporation (US) 2022-11-02 EP disclosed
CN-115135642-A Inhibitors of mutant forms of EGFR 缆图药品公司 2022-09-30 CN disclosed
CN-114007695-A As AM2Heterocyclic spiro-compounds as receptor inhibitors 谢菲尔德大学 2022-02-01 CN disclosed
EP-3880308-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS The University Of Sheffield (GB) 2021-09-22 EP disclosed
WO-2021133809-A1 INHIBITORS OF MUTANT FORMS OF EGFR BLUEPRINT MEDICINES CORPORATION (US) 2021-07-01 WO disclosed
WO-2020099885-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2020-05-22 WO disclosed