SCHEMBL13552248

SCHEMBL13552248

CCCCC(CC)c1ccc(Nc2cc(N(C)C)nc(N3CCN(c4ccccn4)CC3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
DHFR P00374 2/20 0.37
KDM4E B2RXH2 4/20 0.37
MAPT P10636 2/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PANK3 Q9H999 1/20 0.36
GALR1 P47211 3/20 0.36
GALR2 O43603 2/20 0.36
POLB P06746 2/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
GFER P55789 1/20 0.35
CSNK2A1 P68400 1/20 0.35

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
SCHEMBL3244309 0.87 MEN1 (0.49) MEN1KMT2AKDM4EMAPTHSD17B10
SCHEMBL3245969 0.84 MEN1 (0.49) MEN1KMT2ADHFRKDM4EMAPT
SCHEMBL3247897 0.83 MEN1 (0.49) MEN1KMT2ADHFRKDM4EMAPT
SCHEMBL3242750 0.83 MEN1 (0.49) MEN1KMT2ADHFRKDM4EMAPT
SCHEMBL3244007 0.83 MEN1 (0.49) MEN1KMT2ADHFRKDM4EMAPT
SCHEMBL3245980 0.83 MEN1 (0.45) MEN1KMT2ADHFRKDM4EMAPT
SCHEMBL8254119 0.82 KDM4E (0.48) KDM4EMAPTHSD17B10LMNATP53
SCHEMBL3240653 0.81 ALDH1A1 (0.48) MEN1KMT2AKDM4EMAPTHSD17B10
SCHEMBL3262025 0.80 KDM4E (0.43) KDM4EMAPTHSD17B10LMNATP53
SCHEMBL3247614 0.78 MAPT (0.45) KDM4EMAPTHSD17B10LMNATP53

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
EP-2140862-A2 Use of GAL 3 receptor antagonists for the treatment of depression and /or anxiety and compounds useful in such methods H.Lundbeck A/S (DK) 2010-01-06 EP disclosed