SCHEMBL6980296

SCHEMBL6980296

[N]C1CCCCC(Cc2c(Cl)cccc2Cl)N1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.33
TAAR1 Q96RJ0 2/20 0.32
LMNA P02545 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HSD11B1 P28845 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL6976719 0.75 POLB (0.59) POLB
SCHEMBL1429568 0.75 POLB (0.50) GLAHTTNPSR1KMT2APOLB
SCHEMBL6969853 0.72 GLA (0.41) GLAHTTNPSR1KMT2APOLB
SCHEMBL6980292 0.72 GLA (0.41) GLAHTTNPSR1KMT2APOLB
SCHEMBL6979018 0.71 POLB (0.54) POLB
SCHEMBL6976712 0.70 USP2 (0.43) HTTNPSR1KMT2APOLBLMNA
SCHEMBL6976968 0.69 POLB (0.40) POLBLMNA
SCHEMBL6978425 0.69 CHRNB2 (0.42) KMT2APOLB
SCHEMBL8550523 0.67 GLA (0.36) GLAHTTNPSR1
SCHEMBL6981221 0.67 POLB (0.45) POLB

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-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP claimed