SCHEMBL7364944

SCHEMBL7364944

NC(=O)C(C(=O)NCCCN1CCCC1=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
KMT2A Q03164 2/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
CD274 Q9NZQ7 1/20 0.46
TACR2 P21452 2/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL8191918 0.85 TACR2 (0.51) SMN1; SMN2KMT2ALMNAMEN1KDM4E
SCHEMBL7367889 0.81 HTT (0.57) SMN1; SMN2L3MBTL1KDM4EALDH1A1
SCHEMBL7369353 0.81 RAB9A (0.56) SMN1; SMN2L3MBTL1KDM4EALDH1A1
SCHEMBL5105512 0.77 MEN1 (0.77) SMN1; SMN2KMT2AMEN1CD274
SCHEMBL7370861 0.77 TACR2 (0.56) KMT2ALMNATACR2ALDH1A1MAPT
SCHEMBL7369227 0.77 QPCT (0.63) SMN1; SMN2L3MBTL1KDM4EPOLBALDH1A1
SCHEMBL7286780 0.76 L3MBTL1 (0.56) SMN1; SMN2KMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL7375405 0.75 BCHE (0.52)
SCHEMBL7372543 0.74 NPC1 (0.56) SMN1; SMN2
SCHEMBL8472345 0.74 SMN1; SMN2 (0.45) SMN1; SMN2KMT2ALMNAMEN1L3MBTL1

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
WO-1998054123-A1 SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1998-12-03 WO claimed