SCHEMBL4028212

SCHEMBL4028212

COC(=O)Nc1cccc2cnccc12

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.65
ALDH1A1 P00352 6/20 0.60
MAPT P10636 6/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
KDM4E B2RXH2 4/20 0.60
LMNA P02545 3/20 0.60
NSD2 O96028 1/20 0.60
KMT2A Q03164 3/20 0.57
GALK1 P51570 1/20 0.56
ATM Q13315 1/20 0.56
MEN1 O00255 1/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
BLM P54132 1/20 0.55

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
SCHEMBL3246360 0.86 TRPV1 (0.63) TRPV1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL4022353 0.86 TRPV1 (0.74) TRPV1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL4023574 0.84 MAPT (0.62) TRPV1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL5660097 0.84 TRPV1 (0.71) TRPV1
SCHEMBL618043 0.83 TRPV1 (0.59) TRPV1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL4023786 0.83 TRPV1 (0.64) TRPV1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL30114438 0.83 TRPV1 (0.64) TRPV1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL6630943 0.81 TRPV1 (0.59) TRPV1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL30544195 0.81 KDM4E (0.67) TRPV1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL2315592 0.81 KDM4E (0.67) TRPV1ALDH1A1MAPTSMN1; SMN2KDM4E

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