SCHEMBL28801657

SCHEMBL28801657

C=CCc1nc(N)nc(C2CCCCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.35
NOS2 P35228 4/20 0.35
NOS3 P29474 2/20 0.35
HRH2 P25021 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HRH4 Q9H3N8 3/20 0.32

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
SCHEMBL4838901 0.76 HRH2 (0.43) HRH2HRH3HRH4
SCHEMBL18383786 0.76 HRH2 (0.43) HRH2HRH3HRH4
SCHEMBL808435 0.76 HRH2 (0.43) HRH2HRH3HRH4
SCHEMBL369674 0.74 CASP1 (0.40)
SCHEMBL9489467 0.74 HRH4 (0.44) HRH2HRH3HRH4
SCHEMBL486583 0.74 CASP1 (0.46)
SCHEMBL27336344 0.68 HRH3 (0.38) HRH2HRH3HRH4
SCHEMBL27372042 0.68 PDE10A (0.39) HRH2HRH3HRH4
SCHEMBL27875835 0.66 CASP1 (0.33)
SCHEMBL8052575 0.65 PDE10A (0.45) HRH2HRH3HRH4

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-102753614-A Cross-linking agent for cross-linkable elastomer and application of the same NIPPON KASEI CHEM 2012-10-24 CN disclosed