SCHEMBL31482245

SCHEMBL31482245

C[C@@H]1CCCN(C2CCN(C(=O)c3ncc(Br)s3)CC2)C1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 18/20 0.56
▸ L3MBTL3 Q96JM7 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ L3MBTL4 Q8NA19 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
SCHEMBL31482130 0.84 ADRA1A (0.56) ADRA1AL3MBTL3L3MBTL1L3MBTL4
Hydrochloric Acid SCHEMBL31482115 0.83 ADRA1A (0.55) ADRA1AL3MBTL3L3MBTL1L3MBTL4
SCHEMBL16827277 0.78 ADRA1A (0.73) ADRA1AL3MBTL3L3MBTL1
SCHEMBL31482161 0.78 ADRA1A (0.49) ADRA1AL3MBTL3L3MBTL1
SCHEMBL31482154 0.77 ADRA1A (0.48) ADRA1AL3MBTL3L3MBTL1
SCHEMBL31482192 0.76 ADRA1A (0.47) ADRA1AL3MBTL3L3MBTL1
SCHEMBL31482101 0.75 ADRA1A (0.47) ADRA1AL3MBTL3L3MBTL1
SCHEMBL16827274 0.74 ADRA1A (0.66) ADRA1AL3MBTL3L3MBTL1
SCHEMBL12121437 0.74 L3MBTL3 (0.57) L3MBTL3L3MBTL1L3MBTL4
SCHEMBL16854290 0.74 ADRA1A (0.73) ADRA1AL3MBTL3L3MBTL1L3MBTL4

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-2025068514-A1 SUBSTITUTED HETEROCYCLIC CARBOXAMINDES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2025-04-03 — — WO disclosed
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