SCHEMBL7083426

SCHEMBL7083426

CNC(=O)N(C)N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL8680079 0.78 MAPT (0.34)
SCHEMBL6632132 0.77 ALDH1A1 (0.36) MEN1KMT2AALDH1A1
SCHEMBL4592349 0.75 CHRM2 (0.37) MEN1KMT2AALDH1A1
SCHEMBL6557601 0.74 LMNA (0.31)
SCHEMBL7079770 0.73 L3MBTL1 (0.35) ALDH1A1
SCHEMBL27519379 0.72 ALDH1A1 (0.30) ALDH1A1
SCHEMBL4591961 0.72 CHRM2 (0.38) MEN1KMT2AALDH1A1
SCHEMBL10782723 0.70 L3MBTL1 (0.32)
SCHEMBL17010753 0.70 ALDH1A1 (0.36) MEN1KMT2AALDH1A1
SCHEMBL4591978 0.70 L3MBTL1 (0.34) POLBMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0897913-B1 4-carboxamido piperidine derivatives and their use as neurokinine antagonists ASTRAZENECA AB (SE) 2003-04-16 EP disclosed
EP-0667858-B1 4-CARBOXOAMIDO PIPERIDINE DERIVATIVES, INTERMEDIATES AND USE AS NEUROKININ ANTAGONISTS ZENECA LTD (GB) 1999-08-25 EP disclosed
EP-0897913-A1 4-carboxamido piperidine derivatives and their use as neurokinine antagonists ZENECA LIMITED (GB) 1999-02-24 EP disclosed