SCHEMBL12624253

SCHEMBL12624253

CCCN1CCCC(C=O)N1C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 3/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ DRD1 P21728 2/20 0.35
▸ DRD4 P21917 2/20 0.35
▸ DRD5 P21918 2/20 0.35
▸ KDM2B Q8NHM5 1/20 0.31

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
SCHEMBL14537158 0.76 LMNA (0.35) DRD3DRD2DRD1DRD4
SCHEMBL1299491 0.76 LMNA (0.35) DRD3DRD2DRD1DRD4
SCHEMBL9661625 0.76 LMNA (0.35) DRD3DRD2DRD1DRD4
SCHEMBL1299354 0.71 KCNK3 (0.39) —
SCHEMBL327784 0.70 — —
SCHEMBL2089060 0.70 — —
SCHEMBL1299627 0.70 — —
SCHEMBL9660196 0.69 S1PR1 (0.42) —
SCHEMBL4776951 0.69 S1PR1 (0.42) —
SCHEMBL13360172 0.69 S1PR1 (0.42) —

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-7960398-B2 Potent inhibitors of TNF activity VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-14 — — US disclosed
Send feedback