SCHEMBL25986869

SCHEMBL25986869

COc1ccc(NC(=O)N(C)C[C@H](O)[C@H](O)CN2CC[C@H]2[C@H](C)OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ UBE2M P61081 2/20 0.40
▸ DCUN1D1 Q96GG9 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CCR1 P32246 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ EPHX2 P34913 2/20 0.37

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
SCHEMBL25986896 0.80 MEN1 (0.49) NPY5RKMT2AMEN1ALDH1A1MAPT
SCHEMBL25987190 0.76 MEN1 (0.47) NPY5RKMT2AMEN1UBE2MDCUN1D1
SCHEMBL25987459 0.74 MAOA (0.41) KMT2AMEN1ALDH1A1MAPT
SCHEMBL25987189 0.72 FPR1 (0.39) KMT2AMEN1UBE2MDCUN1D1ALDH1A1
SCHEMBL25988749 0.70 KCNH2 (0.47) NPY5RKMT2AMEN1UBE2MDCUN1D1
SCHEMBL24450176 0.70 KCNH2 (0.52) NPY5RKMT2AMEN1UBE2MDCUN1D1
SCHEMBL11390950 0.70 NPY5R (0.50) NPY5RKMT2AMEN1ALDH1A1MAPT
SCHEMBL25988140 0.70 MAPT (0.54) NPY5RKMT2AMEN1ALDH1A1MAPT
SCHEMBL24022482 0.68 PAX8 (0.42) KDM4E
SCHEMBL24022601 0.65 UBE2M (0.50) NPY5RKMT2AMEN1UBE2MDCUN1D1

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
EP-3600286-B1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PARASITIC DISEASES BROAD INST INC (US) 2023-08-16 — — EP disclosed
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