SCHEMBL9520201

SCHEMBL9520201

O=C(Nc1ccccc1)N1CC2CC(CN(Cc3ccc(Cl)cc3)C2)C1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 15/20 0.69
KDM4E B2RXH2 3/20 0.57
MAPT P10636 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.52
NLRP3 Q96P20 1/20 0.52
NPC1 O15118 1/20 0.51
TSHR P16473 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL9520911 0.95 MAPT (0.63) FAAHKDM4EMAPTSMN1; SMN2NPC1
SCHEMBL6737613 0.92 FAAH (0.66) FAAHKDM4EMAPT
SCHEMBL10410350 0.85 GAA (0.54) FAAHKDM4EMAPTSMN1; SMN2RAB9A
SCHEMBL9520617 0.84 FAAH (0.55) FAAHKDM4EMAPT
SCHEMBL9520601 0.84 FAAH (0.62) FAAHKDM4EMAPTSMN1; SMN2NPC1
SCHEMBL9519747 0.81 FAAH (0.65) FAAHMAPTSMN1; SMN2RAB9A
SCHEMBL17460106 0.78 FAAH (0.58) FAAHKDM4EMAPTSMN1; SMN2NPC1
SCHEMBL6732909 0.77 KDM4E (0.50) FAAHKDM4EMAPTSMN1; SMN2TSHR
SCHEMBL6318888 0.77 S1PR5 (0.53) FAAHSMN1; SMN2TSHR
SCHEMBL10410772 0.76 POLB (0.54) KDM4EMAPTSMN1; SMN2NPC1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0308843-B1 Bispidin derivatives as class III antiarrhythmics BASF AG (DE) 1993-12-15 EP claimed
EP-0308843-B1 Bispidin derivatives as class III antiarrhythmics BASF AG (DE) 1993-12-15 EP disclosed
US-4959373-A Bispidine derivatives as class III antiarrhythmic agents BASF AKTIENGESELLSCHAFT (DE) 1990-09-25 US disclosed
EP-0308843-A2 Bispidin derivatives as class III antiarrhythmics BASF Aktiengesellschaft (DE) 1989-03-29 EP disclosed