SCHEMBL27758968

SCHEMBL27758968

CCS(=O)(=O)N1CCNCC1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 1/20 0.43
▸ SIRT6 Q8N6T7 1/20 0.43
▸ KCNJ1 P48048 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ POLB P06746 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL8127953 0.76 ADRB1 (0.53) ADRB1SIRT6KCNJ1KCNH2ALDH1A1
SCHEMBL7230204 0.74 ADRB1 (0.44) ADRB1SIRT6KCNJ1KCNH2ALDH1A1
SCHEMBL27544020 0.74 ADRB1 (0.47) ADRB1SIRT6KCNJ1KCNH2ALDH1A1
SCHEMBL7258863 0.72 ADRB1 (0.44) ADRB1SIRT6KCNJ1KCNH2ALDH1A1
SCHEMBL28408131 0.71 ADRB1 (0.43) ADRB1SIRT6KCNJ1KCNH2ALDH1A1
SCHEMBL522461 0.71 ADRB1 (0.43) ADRB1SIRT6KCNJ1KCNH2ALDH1A1
SCHEMBL11556533 0.71 KCNJ1 (0.51) KCNJ1KCNH2ALDH1A1MAPTPKM
Hydrochloric Acid SCHEMBL27601656 0.69 ADRB1 (0.44) ADRB1SIRT6ALDH1A1LMNAMAPT
SCHEMBL30165832 0.69 ALDH1A1 (0.50) ADRB1SIRT6ALDH1A1LMNAMAPT
SCHEMBL11508844 0.68 IKBKB (0.43) ADRB1SIRT6ALDH1A1LMNAMAPT

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
CN-101356167-A Chroman compounds as 5-HT1B antagon ASTRAZENECA AB (SE) 2009-01-28 — — CN disclosed
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