SCHEMBL7464776

SCHEMBL7464776

O=C(O)C1CCC(=O)N(Cc2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
HTT P42858 1/20 0.56
ALDH1A1 P00352 3/20 0.54
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
GLA P06280 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
S1PR1 P21453 1/20 0.50
S1PR5 Q9H228 1/20 0.50

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
SCHEMBL28105264 0.86 HTT (0.52) SMN1; SMN2HTTALDH1A1KMT2AL3MBTL1
SCHEMBL20488351 0.85 KMT2A (0.55) SMN1; SMN2ALDH1A1KMT2ANPC1LMNA
SCHEMBL1902358 0.84 SMN1; SMN2 (0.76) SMN1; SMN2HTTALDH1A1KMT2AL3MBTL1
SCHEMBL3488361 0.84 SMN1; SMN2 (0.55) SMN1; SMN2HTTALDH1A1KMT2AL3MBTL1
SCHEMBL7460811 0.83 ALDH1A1 (0.54) ALDH1A1KMT2AL3MBTL1LMNAHPGD
SCHEMBL31581689 0.81 S1PR5 (0.59) SMN1; SMN2HTTALDH1A1KMT2AL3MBTL1
SCHEMBL16880646 0.80 HTT (0.46) SMN1; SMN2HTTALDH1A1KMT2ANPC1
SCHEMBL18956194 0.79 HPGD (0.50) SMN1; SMN2HTTALDH1A1KMT2AL3MBTL1
SCHEMBL2222168 0.78 HPGD (0.53) SMN1; SMN2ALDH1A1KMT2AL3MBTL1NPC1
SCHEMBL20676018 0.78 SMN1; SMN2 (0.85) SMN1; SMN2HTTALDH1A1L3MBTL1NPC1

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-1180513-A1 CYCLIC AMIDE COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-02-20 EP disclosed