SCHEMBL8220722

SCHEMBL8220722

O=C(O)[C@@H]1CNCCN1C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
PREP P48147 3/20 0.48
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PARP1 P09874 1/20 0.46
CTRB1 P17538 1/20 0.46
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL7251746 1.00 HTR2C (0.53) HTR2CSMN1; SMN2NPC1RAB9APREP
SCHEMBL4674934 0.91 HTR2C (0.52) HTR2CSMN1; SMN2NPC1RAB9APREP
SCHEMBL12479521 0.90 SMN1; SMN2 (0.53) HTR2CSMN1; SMN2NPC1RAB9APREP
SCHEMBL28978066 0.89 HTR2C (0.50) HTR2CSMN1; SMN2NPC1RAB9APREP
Hydrochloric Acid SCHEMBL1532877 0.89 SMN1; SMN2 (0.52) HTR2CSMN1; SMN2NPC1RAB9APREP
SCHEMBL7909480 0.89 HTR2C (0.50) HTR2CSMN1; SMN2NPC1RAB9APREP
SCHEMBL6487292 0.88 HTR2C (0.52) HTR2CSMN1; SMN2NPC1RAB9APREP
SCHEMBL3017853 0.88 HTR2C (0.52) HTR2CSMN1; SMN2NPC1RAB9APREP
SCHEMBL6501753 0.88 HTR2C (0.52) HTR2CSMN1; SMN2NPC1RAB9APREP
SCHEMBL21854760 0.87 HTR2C (0.51) HTR2CSMN1; SMN2NPC1RAB9APREP

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-0621270-B1 Piperazine derivatives as collagenase inhibitors SANKYO CO (JP) 2000-04-12 EP disclosed