SCHEMBL9844592

SCHEMBL9844592

O=C1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CO1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
KCNN4 O15554 1/20 0.30

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
SCHEMBL14838661 0.68 GRM2 (0.32)
SCHEMBL27356095 0.68 CYP2B6 (0.41) CYP2B6CYP11B1CYP11B2KCNN4
SCHEMBL9650536 0.68 CYP2B6 (0.46) CYP2B6CYP11B1CYP11B2KCNN4
SCHEMBL1528523 0.68 CYP2B6 (0.36) CYP2B6CYP11B1CYP11B2
SCHEMBL5457963 0.67 LMNA (0.42)
SCHEMBL3744280 0.67 CYP2B6 (0.38) CYP2B6CYP11B1CYP11B2KCNN4
SCHEMBL4400626 0.66 CYP2B6 (0.42) CYP2B6CYP11B1CYP11B2
SCHEMBL2392136 0.65 CYP2B6 (0.59) CYP2B6CYP11B1CYP11B2KCNN4
SCHEMBL27753492 0.65 CYP2B6 (0.54) CYP2B6CYP11B1CYP11B2KCNN4
SCHEMBL13028023 0.64 KCNH2 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0429304-A2 Pyridone-carboxylic acid derivatives and their use as veterinary medicines SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1991-05-29 EP disclosed
US-5017708-A Azabicycloalkanes SHIONOGI & CO., LTD. (JP) 1991-05-21 US disclosed
EP-0359172-A1 Azabicycloalkanes SHIONOGI & CO., LTD. (JP) 1990-03-21 EP disclosed