SCHEMBL7424831

SCHEMBL7424831

O=C(OCc1ccccc1)N1CC(CC2CCCC2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
CCR5 P51681 2/20 0.44
CYP2C19 P33261 1/20 0.44
HTR2C P28335 1/20 0.42

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
SCHEMBL7423627 0.84 FKBP1A (0.39) NPC1RAB9AL3MBTL1MAPK1CCR5
SCHEMBL8810505 0.77 ELANE (0.45) NPC1RAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL1188239 0.76 PREP (0.42) CCR5CYP2C19
SCHEMBL6135688 0.76 PREP (0.42) CCR5CYP2C19
SCHEMBL23177206 0.74 NPC1 (0.49) NPC1RAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL8236318 0.74 SMN1; SMN2 (0.68) NPC1RAB9ASMN1; SMN2CYP2C19
SCHEMBL4391983 0.73 NPC1 (0.47) NPC1RAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL7424833 0.72 TSHR (0.45) L3MBTL1GAAMAPK1CCR5CYP2C19
SCHEMBL1766231 0.72 HTR2C (0.60) NPC1RAB9ASMN1; SMN2L3MBTL1CYP2C19
SCHEMBL29707055 0.72 NPC1 (0.54) NPC1RAB9ASMN1; SMN2L3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0925289-A1 MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 1999-06-30 EP disclosed
WO-1999002510-A1 MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 1999-01-21 WO disclosed