SCHEMBL4630009

SCHEMBL4630009

CN1CCN(CN2CCC([C]=O)C2)CC1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 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
SCHEMBL17476127 0.72
SCHEMBL475277 0.71
SCHEMBL4630760 0.71
SCHEMBL2319503 0.71 MC4R (0.42) CYP1A2
SCHEMBL18604594 0.70 GNAI3 (0.50)
SCHEMBL18772772 0.70 CARM1 (0.48)
SCHEMBL4629827 0.68
SCHEMBL4630431 0.68 CYP1A2 (0.33) CYP1A2CYP2D6
SCHEMBL3947854 0.67 DRD2 (0.43)
SCHEMBL3950217 0.66 SMN1; SMN2 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed