SCHEMBL18744229

SCHEMBL18744229

C[C@@H]1CCCN(C2CCN(C(=O)c3cnc(N4CCC[C@@H]4C(=O)OC(C)(C)C)nc3)CC2)C1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 19/20 0.66
▸ L3MBTL3 Q96JM7 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL18145308 0.86 ADRA1A (0.69) ADRA1A
SCHEMBL20220613 0.81 ADRA1A (0.61) ADRA1A
SCHEMBL16855470 0.81 ADRA1A (0.61) ADRA1A
SCHEMBL16854317 0.79 ADRA1A (1.00) ADRA1A
SCHEMBL16824339 0.78 ROCK2 (0.40) ADRA1A
SCHEMBL1367212 0.78 ROCK2 (0.40) ADRA1A
SCHEMBL16827278 0.75 ADRA1A (1.00) ADRA1AL3MBTL3L3MBTL1
SCHEMBL16854293 0.74 ADRA1A (1.00) ADRA1AL3MBTL3L3MBTL1
SCHEMBL16824342 0.73 CASP3 (0.38) —
SCHEMBL7960845 0.73 MEN1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624199-B2 Substituted bipiperidinyl derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-18 — — US disclosed
US-9624199-B2 Substituted bipiperidinyl derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-18 — — US disclosed
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