SCHEMBL6975490

SCHEMBL6975490

[N]C1NCCCCC1Cc1ccco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
USP2 O75604 1/20 0.41
CHRM5 P08912 3/20 0.40
CHRM3 P20309 3/20 0.40
CHRM1 P11229 2/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL6980965 0.75 POLB (0.60) POLB
SCHEMBL6978978 0.73 HSD17B10 (0.38) KMT2AMEN1MAPTALOX15HPGD
SCHEMBL5863707 0.73 USP2 (0.46) KMT2AMEN1HTTGAAUSP2
SCHEMBL6976712 0.70 USP2 (0.43) KMT2AMEN1HTTGAAUSP2
SCHEMBL8522199 0.69 USP2 (0.56) KMT2AMEN1HTTGAAUSP2
SCHEMBL2511016 0.68 KMT2A (0.44) KMT2AMEN1HTTGAAALDH1A1
SCHEMBL6973085 0.68 USP2 (0.41) KMT2AMEN1HTTGAAUSP2
SCHEMBL6975487 0.68 USP2 (0.41) KMT2AMEN1HTTGAAUSP2
SCHEMBL10923368 0.67 LMNA (0.42) KMT2AMEN1HTTGAAUSP2
SCHEMBL13278218 0.67 USP2 (0.50) KMT2AMEN1USP2CHRM5CHRM3

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