SCHEMBL8316102

SCHEMBL8316102

c1ccc(COc2ccc3[nH]c4c(c3c2)CCC4)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.55
MAOB P27338 3/20 0.53
MAOA P21397 1/20 0.53
TDP1 Q9NUW8 2/20 0.53
CTSV O60911 3/20 0.51
CTSL P07711 3/20 0.51
NSD2 O96028 1/20 0.51
AS3MT Q9HBK9 1/20 0.51
MAPT P10636 3/20 0.50
TRPM8 Q7Z2W7 1/20 0.50
ADRA1A P35348 1/20 0.49
TP53 P04637 2/20 0.49
LMNA P02545 1/20 0.49
ACHE P22303 1/20 0.49
MCHR1 Q99705 2/20 0.48

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
SCHEMBL8316089 0.97 MAPKAPK2 (0.55) MAPKAPK2MAOBMAOATDP1CTSV
SCHEMBL25634129 0.87 MCHR1 (0.61) MAPKAPK2MAOBMAOACTSVCTSL
SCHEMBL31153237 0.87 MCHR1 (0.61) MAPKAPK2MAOBMAOACTSVCTSL
SCHEMBL25634296 0.84 HRH3 (0.58) MAPKAPK2MAOBMAOAMAPTTRPM8
SCHEMBL31153243 0.84 HRH3 (0.58) MAPKAPK2MAOBMAOAMAPTTRPM8
SCHEMBL2978779 0.84 LMNA (0.63) MAPKAPK2MAOBMAOACTSVCTSL
SCHEMBL9672176 0.83 MAOB (0.55) MAPKAPK2MAOBMAOATDP1CTSV
SCHEMBL7657783 0.81 EGFR (0.67) MAPKAPK2MAOBMAOACTSVCTSL
Hydrochloric Acid SCHEMBL8606288 0.78 EGFR (0.51) MAPKAPK2ADRA1A
SCHEMBL7143900 0.78 ADRA1A (0.49) MAPKAPK2MAOBMAOACTSVCTSL

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-0690050-B1 (Thia)cycloalkyl(b) indole derivatives as 5-lipoxygenase inhibitors ADIR (FR) 1999-11-17 EP claimed
EP-0690050-B1 (Thia)cycloalkyl(b) indole derivatives as 5-lipoxygenase inhibitors ADIR (FR) 1999-11-17 EP disclosed