SCHEMBL6922673

SCHEMBL6922673

Cc1cn(-c2cc(C3CCCCC3)oc(=O)c2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 2/20 0.36
DDR1 Q08345 1/20 0.35
PSEN1 P49768 4/20 0.34
PSEN2 P49810 4/20 0.34
APH1B Q8WW43 4/20 0.34
NCSTN Q92542 4/20 0.34
APH1A Q96BI3 4/20 0.34
PSENEN Q9NZ42 4/20 0.34
CYP2E1 P05181 1/20 0.34
CYP2A6 P11509 1/20 0.34
LDLR P01130 1/20 0.34
PCSK9 Q8NBP7 1/20 0.34
CYP3A4 P08684 2/20 0.33
USP30 Q70CQ3 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33

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
SCHEMBL6924757 0.82 P4HTM (0.34) CYP1B1
SCHEMBL6823986 0.82 PDE3B (0.34) CYP1B1
SCHEMBL6827332 0.81 NPC1 (0.44) CYP1B1
SCHEMBL6922731 0.80 NOTUM (0.49) USP30CYP1A2CYP2C19
SCHEMBL6827915 0.76 CYP11B1 (0.41) CYP3A4PDE4APDE4BPDE4CPDE4D
SCHEMBL7154816 0.76 SYK (0.35) CYP3A4USP30CYP1A2CYP2C19
SCHEMBL6827215 0.73 NR1I2 (0.38) NR2E1DDR1PSEN1PSEN2APH1B
SCHEMBL9765298 0.71 CA1 (0.45) CYP1A2CYP1B1
SCHEMBL6827232 0.69 HTT (0.44)
SCHEMBL6924372 0.68 LMNA (0.41) USP30CYP1B1

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-2004050624-A1 SUBSTITUTED 1H-PYRIDINE-2-ONE DERIVATIVES C & C RESEARCH LABORATORIES (KR) 2004-06-17 WO disclosed