SCHEMBL8284458

SCHEMBL8284458

ClCc1ccc2nc(NCCCN3CCOCC3)n(Cc3cccc(Br)n3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 1/20 0.48
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
MCHR1 Q99705 4/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
RAD52 P43351 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL8284448 0.91 TRPC5 (0.48) TRPC5MAPK1NPSR1TDP1ALDH1A1
SCHEMBL8284400 0.86 TRPC5 (0.42) TRPC5MAPK1NPSR1TDP1ALDH1A1
SCHEMBL8284447 0.84 TRPC5 (0.56) TRPC5MAPK1NPSR1TDP1ALDH1A1
SCHEMBL8283653 0.81 TRPC5 (0.50) TRPC5MAPK1NPSR1TDP1ALDH1A1
SCHEMBL8285540 0.81 TRPC5 (0.46) TRPC5MAPK1NPSR1TDP1ALDH1A1
SCHEMBL4857710 0.80 TRPC5 (0.39) TRPC5MAPK1NPSR1TDP1ALDH1A1
SCHEMBL8248590 0.80 TRPC5 (0.47) TRPC5MAPK1NPSR1TDP1ALDH1A1
SCHEMBL8283650 0.79 TRPC5 (0.47) TRPC5MAPK1NPSR1TDP1ALDH1A1
SCHEMBL4864386 0.79 TRPC5 (0.38) TRPC5MAPK1ALDH1A1USP2MAPT
SCHEMBL8241916 0.78 TRPC5 (0.49) TRPC5MAPK1NPSR1TDP1ALDH1A1

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-2005058871-A1 MORPHOLINYL CONTAINING BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-06-30 WO disclosed