SCHEMBL6420518

SCHEMBL6420518

O=C(OCCC1CCCCC1)C(=O)On1cnc2c1CCN(C(=O)O)C2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.36
CHRM4 P08173 5/20 0.36
CHRM5 P08912 5/20 0.36
CHRM1 P11229 5/20 0.36
CHRM3 P20309 5/20 0.36
ENPP2 Q13822 1/20 0.35
CNR2 P34972 2/20 0.34
KDM4C Q9H3R0 2/20 0.33
PDK2 Q15119 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CPB2 Q96IY4 2/20 0.31
CPB1 P15086 1/20 0.31
KIT P10721 1/20 0.31
PDGFRA P16234 1/20 0.31
FAAH O00519 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL6422857 0.90 PTGDR2 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6420631 0.89 PTGDR2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6420533 0.78 ALDH1A1 (0.33) ALDH1A1LMNA
SCHEMBL6423488 0.76 CHRM5 (0.39) CHRM5CHRM1PDK2
SCHEMBL6422824 0.76 CHRM5 (0.41) CHRM5CHRM1KDM4CPDK2ALDH1A1
SCHEMBL6419655 0.76 PTGDR2 (0.37) PDK2ALDH1A1LMNA
SCHEMBL6419465 0.75 PDK2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6422956 0.74 CHRM5 (0.42) CHRM5CHRM1KDM4CALDH1A1
SCHEMBL6420249 0.73 PTGDR2 (0.36) PDK2ALDH1A1LMNA
SCHEMBL6422607 0.73 P2RX7 (0.43) PDK2ALDH1A1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6908926-B1 Substituted imidazoles, their preparation and use NOVO NORDISK A/S (DK) 2005-06-21 US disclosed
EP-1173438-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2002-01-23 EP disclosed
WO-2000063208-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-10-26 WO disclosed