SCHEMBL1805952

SCHEMBL1805952

Cc1n[nH]c(-c2ncccc2C2CC2)c1C=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 4/20 0.39
PDK2 Q15119 2/20 0.35
HTR1A P08908 7/20 0.33
SLC6A2 P23975 7/20 0.33
SLC6A4 P31645 7/20 0.33
NAAA Q02083 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
ERN1 O75460 1/20 0.31
OPRL1 P41146 1/20 0.31
PDK4 Q16654 1/20 0.31
P2RX7 Q99572 1/20 0.31
SLC6A3 Q01959 2/20 0.31

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
SCHEMBL1803650 0.79 MEN1 (0.37) DRD1ERN1P2RX7
SCHEMBL1807207 0.79 ERN1 (0.34) ERN1
SCHEMBL1810207 0.77 DRD1 (0.36) DRD1PDK2HTR1ASLC6A2SLC6A4
SCHEMBL1808007 0.76 KDM4E (0.34) NAAA
SCHEMBL1809756 0.74 PDE4D (0.46) DRD1
SCHEMBL1807044 0.73 CYP1A2 (0.36) ERN1
SCHEMBL1806019 0.73 TRPV1 (0.36) SLC6A2SLC6A4ERN1SLC6A3
SCHEMBL1807099 0.72 ALDH1A1 (0.38)
SCHEMBL15354765 0.70 PDK2 (0.46) PDK2HTR1ASLC6A2SLC6A4PDK4
SCHEMBL32685167 0.70 PDK2 (0.46) PDK2HTR1ASLC6A2SLC6A4PDK4

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-2501703-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS Eli Lilly and Company (US) 2012-09-26 EP disclosed
WO-2011060035-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-05-19 WO disclosed