SCHEMBL3693210

SCHEMBL3693210

CCOC(=O)c1cc(-c2cc(C(=O)OC)co2)cc(CN2CCN(Cc3cc(-c4cc(C(=O)OC)co4)cc(C(=O)OCC)n3)CCN(Cc3cc(-c4cc(C(=O)OC)co4)cc(C(=O)OCC)n3)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
NLRP3 Q96P20 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
P2RY12 Q9H244 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL3022329 0.92 CHRM3 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3004832 0.86 CYP1A2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3016916 0.85 CYP1A2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3021173 0.82 ALDH1A1 (0.38) KMT2AKDM4EMEN1TP53MAPT
SCHEMBL3009328 0.77 NLRP3 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3022303 0.76 NR4A2 (0.38) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL862555 0.76 CYP1A2 (0.44) KMT2AKDM4EMEN1RXFP1MAPT
SCHEMBL842177 0.74 ALDH1A1 (0.41) KMT2AKDM4EMEN1TP53ALDH1A1
SCHEMBL3020892 0.74 LMNA (0.40) KMT2AKDM4EMEN1TP53MAPT
SCHEMBL13214427 0.74 ALDH1A1 (0.45) KMT2AKDM4EMEN1RXFP1MAPT

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
EP-2195310-B1 LUMINESCENT LANTHANIDE (III) CHELATES, CHELATING AGENTS AND CONJUGATES DERIVED THEREOF WALLAC OY (FI) 2016-06-01 EP disclosed
EP-2195310-A1 LUMINESCENT LANTHANIDE (III) CHELATES, CHELATING AGENTS AND CONJUGATES DERIVED THEREOF Wallac OY (FI) 2010-06-16 EP disclosed
WO-2009030819-A1 LUMINESCENT LANTHANIDE (III) CHELATES, CHELATING AGENTS AND CONJUGATES DERIVED THEREOF WALLAC OY (FI) 2009-03-12 WO disclosed