SCHEMBL20463182

SCHEMBL20463182

CCN(C(=O)c1ccc(OCCCCCN2CCN(c3ccc(C=O)cn3)CC2)cc1)C1CCC(=O)NC1=O

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 15/20 0.44
▸ MAOA P21397 3/20 0.41
▸ MAOB P27338 3/20 0.41
▸ DRD2 P14416 1/20 0.38

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
SCHEMBL30367427 0.90 HRH3 (0.44) HRH3MAOAMAOB
SCHEMBL21477175 0.80 MAOA (0.40) HRH3MAOAMAOBDRD2
SCHEMBL30479975 0.78 AR (0.51) —
SCHEMBL20423483 0.78 AR (0.51) —
SCHEMBL20423484 0.78 AR (0.51) —
SCHEMBL20423116 0.77 CRBN (0.44) HRH3
SCHEMBL20423470 0.77 CRBN (0.46) HRH3
SCHEMBL20463105 0.73 CRBN (0.44) HRH3MAOAMAOBDRD2
SCHEMBL21480831 0.73 MAOA (0.48) MAOAMAOBDRD2
SCHEMBL21477172 0.71 MAOA (0.42) MAOAMAOBDRD2

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
WO-2018144649-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME Arvinas, Inc. (US) 2018-08-09 — — WO disclosed
Send feedback