SCHEMBL14943299

SCHEMBL14943299

CN[C@@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
SIGMAR1 Q99720 2/20 0.43
EPHX2 P34913 1/20 0.40
HRH4 Q9H3N8 3/20 0.40
DPP4 P27487 1/20 0.38
CNR1 P21554 2/20 0.36
CYP19A1 P11511 5/20 0.33
CYP17A1 P05093 2/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33

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
SCHEMBL13870103 1.00 TDP1 (0.47) TDP1SIGMAR1EPHX2HRH4DPP4
SCHEMBL17347037 1.00 TDP1 (0.47) TDP1SIGMAR1EPHX2HRH4DPP4
SCHEMBL14269196 1.00 TDP1 (0.47) TDP1SIGMAR1EPHX2HRH4DPP4
SCHEMBL13202685 1.00 TDP1 (0.47) TDP1SIGMAR1EPHX2HRH4DPP4
SCHEMBL13870610 1.00 TDP1 (0.47) TDP1SIGMAR1EPHX2HRH4DPP4
SCHEMBL18543369 1.00 TDP1 (0.47) TDP1SIGMAR1EPHX2HRH4DPP4
SCHEMBL14269193 1.00 TDP1 (0.47) TDP1SIGMAR1EPHX2HRH4DPP4
SCHEMBL12894228 1.00 TDP1 (0.47) TDP1SIGMAR1EPHX2HRH4DPP4
SCHEMBL2888640 1.00 TDP1 (0.47) TDP1SIGMAR1EPHX2HRH4DPP4
SCHEMBL14289419 0.83 TDP1 (0.39) TDP1SIGMAR1EPHX2HRH4DPP4

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-8440666-B2 Pyridazinone compounds and P2X7 receptor inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-14 US disclosed