SCHEMBL4671370

SCHEMBL4671370

O=C(O)CC1CCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.63
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
CYP2C19 P33261 1/20 0.60
GRIN2B Q13224 9/20 0.57
CYP2D6 P10635 4/20 0.56
CYP2C9 P11712 4/20 0.56
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CYP3A4 P08684 3/20 0.53
HTT P42858 1/20 0.51
FAAH O00519 1/20 0.49
TACR3 P29371 1/20 0.49
PDE4B Q07343 1/20 0.48
USP30 Q70CQ3 1/20 0.47

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
SCHEMBL8696423 0.92 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL401825 0.92 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
Hydrochloric Acid SCHEMBL17361073 0.90 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL895729 0.89 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL541346 0.88 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL100555 0.88 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL3444915 0.88 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL14564151 0.87 HTT (0.61) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL14347695 0.87 HTT (0.61) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL14564029 0.87 HTT (0.61) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B

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
EP-1304329-B1 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI SANKYO CO LTD (JP) 2008-10-15 EP disclosed
EP-1304329-A2 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-23 EP disclosed
US-5849757-A Pyridonecarboxylic acid derivatives substituted by a bicyclic amino group as antibacterials DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-12-15 US disclosed
EP-0807630-A1 HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed