SCHEMBL23851403

SCHEMBL23851403

C[C@@H](CCO)Nc1ccc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)cn1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 19/20 0.75
▸ L3MBTL3 Q96JM7 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL31047836 0.86 ADRA1A (1.00) ADRA1A
SCHEMBL16835558 0.86 ADRA1A (1.00) ADRA1A
SCHEMBL16846239 0.80 ADRA1A (1.00) ADRA1A
SCHEMBL31047819 0.80 ADRA1A (1.00) ADRA1A
SCHEMBL16846303 0.77 ADRA1A (0.68) ADRA1AL3MBTL3L3MBTL1
SCHEMBL16855418 0.77 ADRA1A (0.81) ADRA1A
SCHEMBL16846245 0.74 ADRA1A (1.00) ADRA1A
SCHEMBL22345196 0.73 ADRA1A (0.60) ADRA1A
SCHEMBL16855473 0.73 ADRA1A (0.67) ADRA1A
SCHEMBL31047818 0.73 ADRA1A (0.67) ADRA1A

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
EP-3883933-A1 a2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS FOR THE TREATMENT OF SLEEP APNEA Bayer Aktiengesellschaft (DE) 2021-09-29 — — EP disclosed
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