SCHEMBL10901490

SCHEMBL10901490

C#CCN1CCC(c2occ3cc(C4CCCCC4)ccc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.40
MAOA P21397 9/20 0.40
P2RY14 Q15391 1/20 0.38
DRD2 P14416 2/20 0.38
SLC6A4 P31645 1/20 0.35
ACHE P22303 1/20 0.34
TLR7 Q9NYK1 1/20 0.33
S1PR1 P21453 1/20 0.33
BACE1 P56817 1/20 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
SCHEMBL10901806 0.84 TLR9 (0.41) DRD2SLC6A4ACHETLR7
SCHEMBL10901424 0.81 QDPR (0.44) DRD2SLC6A4TLR7BACE1
SCHEMBL10903335 0.79 MAOB (0.44) MAOBMAOADRD2SLC6A4
SCHEMBL10898362 0.77 ABL1 (0.41) TLR7
SCHEMBL10906165 0.77 MAOB (0.38) MAOBMAOA
SCHEMBL10901484 0.76 S1PR1 (0.44) MAOBMAOAP2RY14DRD2SLC6A4
SCHEMBL10901664 0.75 QDPR (0.42) SLC6A4TLR7BACE1
SCHEMBL11336429 0.69 MAOB (0.43) MAOBMAOAP2RY14DRD2SLC6A4
SCHEMBL11334591 0.67 CYP1A2 (0.43) MAOBMAOAP2RY14DRD2
SCHEMBL81671 0.66 MAOB (0.60) MAOBMAOADRD2

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
US-4210655-A Anti-depressant benzofuranyl piperidines CIBA-GEIGY CORPORATION (US) 1980-07-01 US claimed
US-4600719-A Tetrahydropyridine and piperidine derivatives CIBA GEIGY CORPORATION (US) 1986-07-15 US disclosed
US-4210655-A Anti-depressant benzofuranyl piperidines CIBA-GEIGY CORPORATION (US) 1980-07-01 US disclosed