SCHEMBL1806255

SCHEMBL1806255

Cc1cccnc1-c1[nH]nc(C(=O)O)c1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.38
KDM4E B2RXH2 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
MYC P01106 1/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37
AGER Q15109 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ERN1 O75460 1/20 0.35
CYP2A6 P11509 1/20 0.35
TRPV1 Q8NER1 2/20 0.34
EGLN1 Q9GZT9 1/20 0.34
CYP1A2 P05177 1/20 0.34
HAO2 Q9NYQ3 1/20 0.34
FAAH O00519 1/20 0.34

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
SCHEMBL1806327 0.85 KDM4E (0.44) KDM4EMAPTALDH1A1CYP3A4CYP1A2
SCHEMBL1803979 0.73 TDP2 (0.43) KDM4ECYP3A4NPSR1
SCHEMBL1807976 0.73 MAPT (0.43) KDM4EMAPTALDH1A1ALOX15NPSR1
SCHEMBL1807207 0.69 ERN1 (0.34) METAP2ERN1TRPV1
SCHEMBL1803650 0.69 MEN1 (0.37) METAP2KDM4ETDP1ALDH1A1ERN1
SCHEMBL29564333 0.69 KDM4E (0.61) KDM4ETDP1MYCMAPTALDH1A1
SCHEMBL130171 0.69 KDM4E (0.61) KDM4ETDP1MYCMAPTALDH1A1
SCHEMBL4491755 0.69 TRPV1 (0.36) METAP2KDM4ETDP1MAPTALDH1A1
SCHEMBL19207072 0.68 NTRK1 (0.41) METAP2KDM4ETDP1MYCMAPT
SCHEMBL28335924 0.68 KDM4E (0.41) METAP2KDM4ETDP1MYCMAPT

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