SCHEMBL4305741

SCHEMBL4305741

CCCC1CCC(N2CCC(c3ccc4c(c3)[N]C(=O)N4)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.43
OPRM1 P35372 5/20 0.42
OPRK1 P41145 2/20 0.42
CYP2C9 P11712 1/20 0.37
KDR P35968 1/20 0.36
ALK Q9UM73 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TLR9 Q9NR96 6/20 0.35
TLR7 Q9NYK1 6/20 0.35
IKZF2 Q9UKS7 1/20 0.35
TRPV6 Q9H1D0 1/20 0.34
TLR8 Q9NR97 2/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 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
SCHEMBL4301270 0.83 SLC18A3 (0.48) OPRL1OPRM1OPRK1KDRALK
Hydrochloric Acid SCHEMBL5720133 0.81 HPGD (0.40) KDRALKTLR9TLR7TLR8
SCHEMBL5720125 0.79 CHRM1 (0.41) ALDH1A1TLR9TLR7TRPV6TLR8
SCHEMBL5720092 0.76 CHRM1 (0.51) ALDH1A1TRPV6MEN1KMT2A
SCHEMBL6215486 0.75 OPRL1 (0.40) OPRL1OPRM1OPRK1CYP2C9KDR
SCHEMBL5720388 0.75 DRD2 (0.40) OPRK1TLR9TLR7TRPV6TLR8
SCHEMBL5720279 0.74 DRD2 (0.41) ALDH1A1TLR9TLR7TRPV6TLR8
SCHEMBL5720129 0.74 TLR9 (0.35) ALDH1A1TLR9TLR7TRPV6TLR8
SCHEMBL5720269 0.74 DRD2 (0.39) ALKALDH1A1TLR9TLR7TRPV6
SCHEMBL5720385 0.74 CHRM1 (0.53) ALDH1A1TRPV6KMT2A

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-2009124883-A1 NOVEL 1,3-DIHYDRO-BENZOIMIDAZOL-2-ONES AS M1 AGONISTS H. LUNDBECK A/S (DK) 2009-10-15 WO disclosed