SCHEMBL9635682

SCHEMBL9635682

O=C(CN1CCCC1=O)NCC(=O)Nc1ccncc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
PORCN Q9H237 2/20 0.51
ATAD2 Q6PL18 1/20 0.46
CECR2 Q9BXF3 1/20 0.46
TSHR P16473 4/20 0.44
LMNA P02545 1/20 0.44
MAP4K4 O95819 1/20 0.41
ALDH1A1 P00352 3/20 0.41
BCHE P06276 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
F10 P00742 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9635673 0.99 HTT (0.60) HTTPORCNATAD2CECR2TSHR
SCHEMBL11512524 0.87 HTT (0.82) HTTPORCNATAD2CECR2TSHR
SCHEMBL11512586 0.76 KMT2A (0.54) HTTATAD2CECR2TSHRLMNA
SCHEMBL11391291 0.76 HTT (1.00) HTTPORCNATAD2CECR2TSHR
SCHEMBL9206004 0.76 HTT (0.59) HTTATAD2CECR2TSHRLMNA
SCHEMBL6775638 0.75 HTT (0.71) HTTPORCNATAD2CECR2TSHR
SCHEMBL11112926 0.75 TSHR (0.63) HTTATAD2CECR2TSHRLMNA
SCHEMBL11105997 0.75 TSHR (0.63) HTTATAD2CECR2TSHRLMNA
SCHEMBL11110025 0.75 TSHR (0.63) HTTATAD2CECR2TSHRLMNA
SCHEMBL9628927 0.75 TSHR (0.67) HTTATAD2CECR2TSHRLMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1075484-A None JP disclosed
EP-0308337-B1 4-AMINOPYRIDINE DERIVATIVES AND THEIR ACID ADDITION SALTS MITSUBISHI KASEI CORPORATION (JP) 1992-06-17 EP disclosed
US-4880819-A ALZHEIMER*S DISEASE, PEPTIDE DERIVATIVE MITSUBISHI KASEI CORPORATION (JP) 1989-11-14 US disclosed
EP-0308337-A2 4-Aminopyridine derivatives and their acid addition salts MITSUBISHI KASEI CORPORATION (JP) 1989-03-22 EP disclosed