SCHEMBL14459644

SCHEMBL14459644

CCC(C)(CC)n1ccc(C)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NOS1 P29475 1/20 0.34
HTT P42858 3/20 0.34
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 2/20 0.32
MAPK1 P28482 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
PKM P14618 2/20 0.32
LMNA P02545 2/20 0.31

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
SCHEMBL21166137 0.83 MAPT (0.34) MAPTRAB9ASMN1; SMN2NPC1ATM
SCHEMBL21165922 0.77 CNR2 (0.35) MAPTRAB9ASMN1; SMN2NPC1ATM
SCHEMBL24813878 0.74 MAPT (0.36) MAPTRAB9ASMN1; SMN2NPC1ATM
SCHEMBL24737152 0.74 NOS1 (0.41) MAPTRAB9ASMN1; SMN2NPC1ATM
SCHEMBL6267324 0.73 NOS1 (0.37) MAPTRAB9ASMN1; SMN2NPC1ATM
SCHEMBL24486530 0.73
SCHEMBL6904862 0.71 MAPT (0.38) MAPTRAB9ASMN1; SMN2NPC1ATM
SCHEMBL24884220 0.71 NOS1 (0.35) MAPTRAB9ASMN1; SMN2NPC1ATM
SCHEMBL21732638 0.71 RIPK2 (0.35) MAPTRAB9ASMN1; SMN2NPC1ATM
SCHEMBL22306073 0.70 CYP4F2 (0.50) MAPTSMN1; SMN2HTTALDH1A1NPSR1

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
US-7244738-B2 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC (US) 2007-07-17 US disclosed
US-7244738-B2 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC (US) 2007-07-17 US disclosed