SCHEMBL6948249

SCHEMBL6948249

COCCCCOc1cc(CN2CCN(C)CC2)ccc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
HTR1A P08908 6/20 0.45
CHEK1 O14757 2/20 0.45
MAP3K7 O43318 1/20 0.44
HRH3 Q9Y5N1 2/20 0.44
HDAC6 Q9UBN7 1/20 0.43
MAOB P27338 3/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PARP1 P09874 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
MAOA P21397 1/20 0.42

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
SCHEMBL6043633 0.90 RAB9A (0.48) TP53NPC1HPGDRAB9ACHEK1
SCHEMBL6043781 0.89 CHKA (0.48) TP53NPC1HPGDRAB9ACHEK1
SCHEMBL6043599 0.80 MEN1 (0.50) HRH3MEN1KMT2A
SCHEMBL6043529 0.79 KMT2A (0.49) CHEK1HRH3MEN1KMT2AKDM4E
SCHEMBL6043491 0.79 MEN1 (0.52) HRH3MEN1KMT2A
SCHEMBL6044203 0.79 HRH3 (0.49) TP53HRH3MAOBMEN1KMT2A
SCHEMBL6043654 0.78 KMT2A (0.51) CHEK1HRH3MEN1KMT2AKDM4E
SCHEMBL6043682 0.78 HRH3 (0.48) TP53HRH3MAOBMEN1KMT2A
SCHEMBL6042858 0.77 TSHR (0.53) TP53NPC1HPGDRAB9ACHEK1
SCHEMBL8284765 0.76 LMNA (0.43) HDAC6MEN1KMT2APARP1KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003103652-A1 METHODS OF TREATING ALZHEIMER’S DISEASE USING AROMATICALLY SUBSTITUTED ω-AMINO-ALKANOIC ACID AMIDES AND ALKANOIC ACID DIAMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed