SCHEMBL4023093

SCHEMBL4023093

CCCNC(=O)Cc1cccc2[nH]ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 2/20 0.52
MTNR1A P48039 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 1/20 0.46
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
AANAT Q16613 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
SCHEMBL10272692 0.82 MTNR1A (0.64) MTNR1AALDH1A1KDM4EHPGDLMNA
SCHEMBL11189546 0.81 MTNR1A (0.53) MTNR1ALMNAHDAC1HDAC2HDAC6
SCHEMBL25139801 0.78 GLS (0.48) GLSALDH1A1KDM4EHPGDOPRM1
SCHEMBL10717270 0.77 GLS (0.50) GLSALDH1A1KDM4EHPGDLMNA
SCHEMBL13753750 0.77 HDAC1 (0.63) ALDH1A1HDAC1HDAC2HDAC3HDAC4
SCHEMBL16125637 0.77 GLS (0.50) GLSALDH1A1KDM4ELMNAOPRM1
SCHEMBL10242936 0.77 PTPN1 (0.62) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL31750332 0.77 GLS (0.50) GLSALDH1A1KDM4ELMNAOPRM1
SCHEMBL4309213 0.76 GRIN2D (0.54) GLSALDH1A1KDM4EHPGDLMNA
SCHEMBL30009880 0.76 GRIN2D (0.54) GLSALDH1A1KDM4EHPGDLMNA

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-1478363-B1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2009-01-14 EP claimed
EP-1478363-B1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2009-01-14 EP disclosed