SCHEMBL6446086

SCHEMBL6446086

CC1CCCN1c1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
GRM5 P41594 6/20 0.44
AR P10275 3/20 0.43
PDK2 Q15119 1/20 0.43
SLC18A3 Q16572 1/20 0.40
GRM4 Q14833 1/20 0.39
APP P05067 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
SLC6A9 P48067 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL3535701 0.84 MAOA (0.54) MAOAMAOBARPDK2SLC18A3
SCHEMBL8284787 0.84 MAOA (0.54) MAOAMAOBARPDK2SLC18A3
Methyl Alcohol SCHEMBL27841069 0.81 SLC18A3 (0.53) MAOAMAOBARPDK2SLC18A3
SCHEMBL6446083 0.81 MMP2 (0.41) GRM5APPMMP2MMP9
SCHEMBL13651291 0.80 ALDH1A1 (0.51) AR
SCHEMBL18787366 0.80 ALDH1A1 (0.51) AR
SCHEMBL7075696 0.79 MAOA (0.60) MAOAMAOBARPDK2SLC18A3
SCHEMBL24824101 0.75 HRH3 (0.49) MAOAMAOBARPDK2ACHE
SCHEMBL18786266 0.75 HRH3 (0.49) MAOAMAOBARPDK2ACHE
SCHEMBL251319 0.75 ALDH1A1 (0.50) MAOAMAOBAR

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-1608369-A2 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION CHIRON CORPORATION (US) 2005-12-28 EP disclosed
WO-2004087153-A2 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION CHIRON CORPORATION (US) 2004-10-14 WO disclosed