SCHEMBL6446083

SCHEMBL6446083

[C]C1CCCN1c1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
GRM5 P41594 12/20 0.40
APP P05067 1/20 0.39
MAPT P10636 2/20 0.36
FFAR1 O14842 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL6446086 0.81 MAOA (0.49) MMP2MMP9GRM5APP
SCHEMBL21570566 0.75 AR (0.49) MMP2MMP9GRM5MAPTFFAR1
SCHEMBL1584832 0.75 FFAR1 (0.43) GRM5FFAR1
SCHEMBL1584830 0.75 FFAR1 (0.43) GRM5FFAR1
SCHEMBL484011 0.66 KMT2A (0.44) MAPTFFAR1KDM4EMEN1KMT2A
SCHEMBL8526124 0.66 KMT2A (0.44) MAPTFFAR1KDM4EMEN1LMNA
SCHEMBL2114741 0.65 APP (0.92) GRM5APPMAPTFFAR1KDM4E
SCHEMBL23623855 0.62 CYP19A1 (0.44) MAPTKDM4EKMT2ASMN1; SMN2
SCHEMBL3535701 0.62 MAOA (0.54) MAPTLMNAKMT2ASMN1; SMN2
SCHEMBL15515642 0.62 KMT2A (0.44) MAPTFFAR1MEN1KMT2ASMN1; SMN2

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