SCHEMBL31482140

SCHEMBL31482140

CC(Nc1ncc(C(=O)N2CCC(N3CCC[C@@H](C)C3)CC2)s1)c1ccc(F)cn1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 18/20 0.46
▸ L3MBTL3 Q96JM7 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ACKR3 P25106 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
SCHEMBL31482216 0.91 ADRA1A (0.46) ADRA1AL3MBTL3L3MBTL1
SCHEMBL31482221 0.90 ADRA1A (0.46) ADRA1A
Formic Acid SCHEMBL31482139 0.88 ADRA1A (0.44) ADRA1AL3MBTL3L3MBTL1
SCHEMBL31482089 0.87 ADORA2A (0.46) ADRA1A
SCHEMBL31482138 0.86 ADRA1A (0.45) ADRA1AACKR3
SCHEMBL31482158 0.84 ADRA1A (0.45) ADRA1AL3MBTL3L3MBTL1
SCHEMBL31482226 0.84 ADRA1A (0.46) ADRA1AACKR3
SCHEMBL31482212 0.84 ADRA1A (0.46) ADRA1AACKR3
SCHEMBL31482096 0.84 ADRA1A (0.46) ADRA1AACKR3
SCHEMBL31482156 0.81 ADRA1A (0.45) 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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