SCHEMBL6669285

SCHEMBL6669285

CC(NCc1cc(CN2CCOCC2)cc2c(=O)c(C(=O)N(C)Cc3ccc(Cl)cc3)n[nH]c12)C1CCCO1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 2/20 0.35
KCNH2 Q12809 6/20 0.35
NR1H4 Q96RI1 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 2/20 0.33
ENPP2 Q13822 2/20 0.33
AKR1C3 P42330 1/20 0.33
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL6667754 0.81 AKR1C3 (0.39) POLA1KCNH2NR1H4RAB9AENPP2
SCHEMBL6667470 0.79 INSR (0.39) POLA1KCNH2NR1H4RAB9AENPP2
SCHEMBL7472513 0.77 AKR1C3 (0.36) POLA1KCNH2NR1H4RAB9AENPP2
SCHEMBL6667774 0.76 CHEK1 (0.46) POLA1KCNH2NR1H4KDM4ERAB9A
SCHEMBL7007040 0.76 PDE1B (0.45) POLA1KCNH2NR1H4RAB9AENPP2
SCHEMBL7478855 0.75 POLA1 (0.39) POLA1KCNH2NR1H4RAB9AENPP2
SCHEMBL6669289 0.74 NPC1 (0.40) POLA1KCNH2KDM4ERAB9AENPP2
SCHEMBL6670571 0.74 KDM4E (0.39) KCNH2KDM4EENPP2SMN1; SMN2
SCHEMBL7475511 0.74 NR1H4 (0.38) POLA1KCNH2NR1H4RAB9AAKR1C3
SCHEMBL6667531 0.72 NR1H4 (0.34) KCNH2NR1H4SMN1; SMN2NPC1

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-2004019940-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed