SCHEMBL31482235

SCHEMBL31482235

C[C@@H]1CCCN(C2CCN(C(=O)c3sc(Br)nc3C(F)(F)F)CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 18/20 0.46
▸ THRA P10827 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ L3MBTL3 Q96JM7 1/20 0.38
▸ L3MBTL1 Q9Y468 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
SCHEMBL31482161 0.85 ADRA1A (0.49) ADRA1AL3MBTL3L3MBTL1
SCHEMBL31482154 0.84 ADRA1A (0.48) ADRA1AL3MBTL3L3MBTL1
SCHEMBL31482192 0.84 ADRA1A (0.47) ADRA1AL3MBTL3L3MBTL1
SCHEMBL31482101 0.83 ADRA1A (0.47) ADRA1AL3MBTL3L3MBTL1
SCHEMBL31482187 0.75 ADRA1A (0.42) ADRA1ATHRATHRB
SCHEMBL31482245 0.73 ADRA1A (0.56) ADRA1AL3MBTL3L3MBTL1
SCHEMBL31482130 0.73 ADRA1A (0.56) ADRA1AL3MBTL3L3MBTL1
Hydrochloric Acid SCHEMBL31482115 0.73 ADRA1A (0.55) ADRA1AL3MBTL3L3MBTL1
SCHEMBL24183482 0.68 ADRA1A (0.41) ADRA1A
Trifluoroacetic Acid SCHEMBL18185659 0.68 ADRA1A (0.58) ADRA1AL3MBTL3L3MBTL1

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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