SCHEMBL5690937

SCHEMBL5690937

N#CCc1cccc2c1CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.41
BAD Q92934 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
TBXA2R P21731 1/20 0.35
DHFR P00374 2/20 0.34
RXRA P19793 3/20 0.33
RXRB P28702 3/20 0.33
RXRG P48443 3/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP2A6 P11509 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
LMNA P02545 2/20 0.33
BCHE P06276 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL19357336 0.96 BCL2L1 (0.46) BCL2L1BADSMN1; SMN2ALDH1A1HPGD
SCHEMBL5660017 0.78 SMN1; SMN2 (0.40) BCL2L1BADSMN1; SMN2RXRARXRB
SCHEMBL22705095 0.75 NOS3 (0.33) SMN1; SMN2BCHE
SCHEMBL19354043 0.75 BCL2L1 (0.50) BCL2L1BADSMN1; SMN2ALDH1A1TBXA2R
SCHEMBL231794 0.75 BCL2L1 (0.45) BCL2L1BADSMN1; SMN2ALDH1A1TBXA2R
SCHEMBL30620247 0.75 BCL2L1 (0.50) BCL2L1BADSMN1; SMN2ALDH1A1TBXA2R
SCHEMBL10535124 0.75 PNMT (0.52) BCL2L1BADSMN1; SMN2ALDH1A1TBXA2R
SCHEMBL19354160 0.75 BCL2L1 (0.45) BCL2L1BADSMN1; SMN2ALDH1A1TBXA2R
SCHEMBL28104902 0.75 BCL2L1 (0.45) BCL2L1BADSMN1; SMN2ALDH1A1TBXA2R
SCHEMBL28150965 0.75 BCL2L1 (0.45) BCL2L1BADSMN1; SMN2ALDH1A1TBXA2R

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-1658269-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR Abbott Laboratories (US) 2006-05-24 EP disclosed
WO-2004111009-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2004-12-23 WO disclosed