SCHEMBL28614149

SCHEMBL28614149

Cc1cc(C(F)(F)F)cnc1N1CCC[C@@H](OC(=O)NC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.43
ACACB O00763 1/20 0.42
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
SCN10A Q9Y5Y9 5/20 0.41
POLB P06746 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
SSTR4 P31391 1/20 0.39
HPGD P15428 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL28614142 0.91 SMN1; SMN2 (0.53) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL28605624 0.91 SMN1; SMN2 (0.53) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL28597276 0.91 ACACB (0.51) MEN1KMT2APTGS1PTGS2SMN1; SMN2
SCHEMBL28601559 0.90 ACACB (0.43) MEN1KMT2APTGS1PTGS2SMN1; SMN2
SCHEMBL28614290 0.85 MEN1 (0.46) MEN1KMT2APTGS1PTGS2SMN1; SMN2
SCHEMBL28614292 0.85 MEN1 (0.46) MEN1KMT2APTGS1PTGS2SMN1; SMN2
SCHEMBL28593886 0.85 ACACB (0.57) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL28610083 0.83 MEN1 (0.38) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL28614161 0.80 ACACB (0.45) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL31124491 0.78 SYK (0.55) MEN1KMT2APTGS1PTGS2SSTR4

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
CN-113164461-A Heterocyclic derivatives as Nav1.7 and Nav1.8 blockers 拉夸里亚创药株式会社 2021-07-23 CN disclosed