SCHEMBL7587627

SCHEMBL7587627

[NH]C1COc2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.45
SIGMAR1 Q99720 2/20 0.42
HTR1A P08908 1/20 0.40
OXTR P30559 1/20 0.39
MAOB P27338 3/20 0.38
TP53 P04637 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL225938 0.75 NISCH (0.45) NISCHSIGMAR1HTR1AOXTRMAOB
SCHEMBL2732387 0.75 NISCH (0.45) NISCHSIGMAR1HTR1AOXTRMAOB
SCHEMBL14120418 0.75 PLAU (0.45) NISCHSIGMAR1HTR1AOXTRMAOB
SCHEMBL24214452 0.75 NISCH (0.45) NISCHSIGMAR1HTR1AOXTRMAOB
SCHEMBL6448469 0.75 NISCH (0.49) NISCHSIGMAR1HTR1AOXTRMAOB
SCHEMBL25082548 0.75 NISCH (0.45) NISCHSIGMAR1HTR1AOXTRMAOB
SCHEMBL10754929 0.75 NISCH (0.45) NISCHSIGMAR1HTR1AOXTRMAOB
SCHEMBL18286810 0.75 NISCH (0.45) NISCHSIGMAR1HTR1AOXTRMAOB
SCHEMBL14395682 0.75 NISCH (0.45) NISCHSIGMAR1HTR1AOXTRMAOB
SCHEMBL29433047 0.75 PLAU (0.45) NISCHSIGMAR1HTR1AOXTRMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6368573-B1 MEASURING MYOCARDIAL FUNCTION IN MAMMAL KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2002-04-09 US disclosed
EP-0323807-A2 Certain 2-substituted adenosine derivatives CIBA-GEIGY AG (CH) 1989-07-12 EP disclosed