SCHEMBL23966581

SCHEMBL23966581

COC(=O)Cc1nn(CCN2CCN(C(=O)COC(C)(C)C)CC2)c(=O)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.46
HTR2A P28223 11/20 0.46
HTR2C P28335 9/20 0.46
RECQL P46063 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL23914917 0.87 NPC1 (0.54) SLC6A4HTR2AHTR2CRECQLLMNA
SCHEMBL23966582 0.80 SLC6A4 (0.48) SLC6A4HTR2AHTR2CRECQL
SCHEMBL23915630 0.77 MAPT (0.54) SLC6A4HTR2AHTR2CLMNAGAA
SCHEMBL23915510 0.75 S1PR2 (0.58) RECQLLMNAGAATSHRMAPK1
SCHEMBL23966572 0.75 RECQL (0.57) RECQLLMNAGAATSHRMAPK1
SCHEMBL9529811 0.75 RECQL (0.62) RECQLLMNAGAATSHRMAPK1
SCHEMBL23966843 0.75 ALOX15 (0.51) SLC6A4HTR2AHTR2CLMNASMN1; SMN2
SCHEMBL23909042 0.73 TSHR (0.55) RECQLTSHRSMN1; SMN2
SCHEMBL23915394 0.72 RECQL (0.56) RECQLTSHRSMN1; SMN2
SCHEMBL23915389 0.71 RECQL (0.52) RECQLLMNAGAATSHRMAPK1

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-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed