SCHEMBL6674849

SCHEMBL6674849

O=C(OCc1ccccc1)[C@H]1CCc2ccccc2N1C(=O)CCC1Cc2ccccc2C12CCNCC2

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
ACE P12821 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6672759 0.80 DRD2 (0.46)
SCHEMBL6672515 0.79 AKT1 (0.40)
SCHEMBL6672242 0.79 AKT1 (0.40)
SCHEMBL6401322 0.75 OPRL1 (0.49)
SCHEMBL6669410 0.74 MC4R (0.42)
SCHEMBL6670425 0.73 TP53 (0.42)
SCHEMBL6673179 0.73 POLB (0.42)
Hydrochloric Acid SCHEMBL6669828 0.71 HTR2A (0.36)
SCHEMBL6394968 0.70 NPC1 (0.47) NOTUMACENPC1RAB9AL3MBTL1
SCHEMBL6672827 0.69 OPRM1 (0.43) NOTUM

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-1399432-A1 SPIROPIPERIDINE COMPOUNDS AS LIGANDS FOR ORL-1 RECEPTOR PFIZER INC. (US) 2004-03-24 EP disclosed
WO-2003000677-A1 SPIROPIPERIDINE COMPOUNDS AS LIGANDS FOR ORL-1 RECEPTOR PFIZER PHARMACEUTICALS INC. (JP) 2003-01-03 WO disclosed