SCHEMBL8053644

SCHEMBL8053644

OCCN1CCC(CCCN2CCCCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.50
ACHE P22303 2/20 0.50
CYP1A2 P05177 2/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
DRD2 P14416 2/20 0.39
CHRM3 P20309 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
SLC18A3 Q16572 1/20 0.39
GNAO1 P09471 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
SCHEMBL4666488 0.87 HRH3 (0.58) HRH3ACHECYP1A2MAPK1SMN1; SMN2
SCHEMBL706462 0.86 SLC18A3 (0.44) HRH3ACHEKMT2ACHRM2CHRM4
SCHEMBL7455560 0.85 HRH3 (0.57) HRH3ACHECYP1A2MAPK1SMN1; SMN2
SCHEMBL4664118 0.85 HRH3 (0.56) HRH3ACHECYP1A2MAPK1SMN1; SMN2
SCHEMBL8054785 0.84 CHRM2 (0.46) HRH3ACHEKMT2ACHRM2CHRM4
SCHEMBL4666062 0.82 HRH3 (0.54) HRH3ACHECYP1A2MAPK1SMN1; SMN2
SCHEMBL30115021 0.82 HRH3 (0.54) HRH3CYP1A2CHRM5
SCHEMBL30115019 0.82 HRH3 (0.54) HRH3CYP1A2CHRM5
SCHEMBL9824858 0.81 HRH3 (0.45) HRH3ACHECHRM1GNAO1
SCHEMBL4667713 0.81 HRH3 (0.52) HRH3ACHECYP1A2MEN1KMT2A

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-6042987-A FOR PLANOGRAPHIC PRINTING PLATE, IMAGE RECORDING LAYER CONTAINS A HEAT OR LIGHT DEGRADABLE COMPOUND WHICH GENERATES AN ACID; CURING AGENT WHICH CROSSLINKS IN PRESENCE OF ACID, ALKALI SOLUBLE RESIN; IR ABSORBER; AND AMINO ACID FUJI PHOTO FILM CO., LTD (JP) 2000-03-28 US disclosed