SCHEMBL1809429

SCHEMBL1809429

Cc1nn(-c2c(F)cccc2C(C)(C)N)cc1C=O

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.32
ALDH1A1 P00352 4/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
HTT P42858 2/20 0.32
ERN1 O75460 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
RAB9A P51151 2/20 0.30
KDM4E B2RXH2 1/20 0.30
THRB P10828 1/20 0.30
PKM P14618 1/20 0.30
RECQL P46063 1/20 0.30
PTGS2 P35354 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL1805377 0.85 ERN1 (0.40) POLBALDH1A1SMN1; SMN2HTTERN1
SCHEMBL11972726 0.85 POLB (0.32) POLBALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL1806128 0.82 ERN1 (0.35) POLBALDH1A1SMN1; SMN2HTTERN1
SCHEMBL1808978 0.81 ALDH1A1 (0.37) POLBALDH1A1SMN1; SMN2HTTERN1
SCHEMBL11972479 0.79 POLB (0.37) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1806793 0.78 OPRL1 (0.43) ERN1
SCHEMBL1808455 0.76 C5AR1 (0.33) POLBALDH1A1SMN1; SMN2HTTERN1
SCHEMBL1807552 0.76 POLB (0.33) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1805884 0.75 ERN1 (0.40) POLBALDH1A1SMN1; SMN2HTTERN1
SCHEMBL1804786 0.75 LMNA (0.40) POLBALDH1A1SMN1; SMN2MEN1KMT2A

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-2501704-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS Eli Lilly and Company (US) 2012-09-26 EP disclosed
WO-2011060217-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-05-19 WO disclosed