SCHEMBL9305861

SCHEMBL9305861

CCCCCC[CH]CCN1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
LTA4H P09960 1/20 0.44
KDM4E B2RXH2 1/20 0.41
GNAI3 P08754 2/20 0.40
GNAO1 P09471 2/20 0.40
GNAI1 P63096 2/20 0.40
TSHR P16473 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
SCHEMBL27879440 0.84 HRH3 (0.42) HRH3LTA4HKDM4E
SCHEMBL7705109 0.82 GNAO1 (0.59) KDM4EGNAI3GNAO1GNAI1
SCHEMBL11889486 0.81 HRH3 (0.56) HRH3TSHR
SCHEMBL11179141 0.81 HRH3 (0.52) HRH3TSHR
SCHEMBL5489927 0.81 HRH3 (0.52) HRH3TSHR
SCHEMBL15408001 0.81 HRH3 (0.58) HRH3GNAI3GNAO1GNAI1
SCHEMBL15408002 0.81 HRH3 (0.58) HRH3GNAI3GNAO1GNAI1
SCHEMBL23682856 0.79 HRH3 (0.75) HRH3LTA4HKDM4EGNAI3GNAO1
SCHEMBL11210615 0.79 HRH3 (0.75) HRH3LTA4HKDM4EGNAI3GNAO1
SCHEMBL27096 0.79 HRH3 (0.75) HRH3LTA4HKDM4EGNAI3GNAO1

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
US-5348964-A Anticholesterol agents or fungicides MERRELL DOW PHARMACEUTICALS INC. (US) 1994-09-20 US disclosed