SCHEMBL6979312

SCHEMBL6979312

[N]C1CCCCC(Cc2ccc(Cl)s2)N1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
MMP8 P22894 1/20 0.31
MMP12 P39900 1/20 0.31
MMP13 P45452 1/20 0.31
HTR6 P50406 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30

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
SCHEMBL10132490 0.78 HTR6 (0.46) HTR6
SCHEMBL6977732 0.75 HSD17B10 (0.40) ALDH1A1HPGDKMT2A
SCHEMBL6980296 0.73 GLA (0.42) ALDH1A1HTTKMT2A
SCHEMBL6976719 0.70 POLB (0.59)
SCHEMBL6976712 0.69 USP2 (0.43) ALDH1A1GAAHPGDHTTKMT2A
SCHEMBL6976968 0.68 POLB (0.40)
SCHEMBL6979018 0.67 POLB (0.54)
SCHEMBL6978425 0.65 CHRNB2 (0.42) KMT2A
SCHEMBL6980339 0.64 HRH3 (0.40) ALDH1A1HPGDKMT2A
SCHEMBL6981221 0.62 POLB (0.45)

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