SCHEMBL7846851

SCHEMBL7846851

C=CCC1(CC=C)Oc2ccccc2CC1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.38
MAOA P21397 6/20 0.35
MAOB P27338 6/20 0.35
AOC2 O75106 5/20 0.35
DAO P14920 1/20 0.35
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
THPO P40225 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TP53 P04637 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
SCHEMBL11216141 0.73 KDM4E (0.34) HRH3
SCHEMBL30146748 0.72 MAOA (0.39) MAOAMAOBAOC2DAOTSHR
SCHEMBL8370012 0.72 MGAM (0.47) MAOAMAOB
SCHEMBL3310654 0.72 MGAM (0.47) MAOAMAOB
SCHEMBL7557445 0.72 MAOA (0.39) MAOAMAOBAOC2DAOTSHR
SCHEMBL9604263 0.70 MEN1 (0.35) CYP1A2CYP2D6PKMTSHRNFKB1
SCHEMBL8517740 0.68 CYP2D6 (0.38) HRH3MAOAMAOBCYP1A2CYP2D6
SCHEMBL7919906 0.68 MAOB (0.35) MAOAMAOBAOC2DAOCYP1A2
SCHEMBL5182985 0.68 CYP2C9 (0.36) MAOAMAOBAOC2DAOCYP2C19
SCHEMBL3129322 0.68 SIGMAR1 (0.33) CYP2D6CYP2C19HSP90AA1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828733-B1 BENZOPYRANS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NOVARTIS AG (CH) 2001-09-05 EP disclosed
US-5905156-A POTASSIUM CHANNEL ACTIVATORS AND BRONCHODILATORS NOVARTIS AG (CH) 1999-05-18 US disclosed
EP-0828733-A1 BENZOPYRANS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Novartis AG (CH) 1998-03-18 EP disclosed
WO-1996037490-A1 BENZOPYRANS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NOVARTIS AG (CH) 1996-11-28 WO disclosed
US-5574049-A POTASSIUM CHANNEL OPENERS, BRONCHODILATORS, ANTIASTHMA SANDOZ LTD. (CH) 1996-11-12 US disclosed
US-5574049-A POTASSIUM CHANNEL OPENERS, BRONCHODILATORS, ANTIASTHMA SANDOZ LTD. (CH) 1996-11-12 US disclosed
EP-0623129-A1 2,2-DIALKYL- AND 2,2-DIALKYL-3,4-DIHYDRO-3-HYDROXY-2H-1-BENZOPYR ANS, THEIR USE AS PHARMACEUTICALS Novartis AG (CH) 1994-11-09 EP disclosed
WO-1994012493-A1 2,2-DIALKYL- AND 2,2-DIALKYL-3,4-DIHYDRO-3-HYDROXY-2H-1-BENZOPYR ANS, THEIR USE AS PHARMACEUTICALS SANDOZ, LTD. (CH) 1994-06-09 WO disclosed