SCHEMBL31482229

SCHEMBL31482229

CC(C)C1CCCN(C2CCN(C(=O)c3cnc(N[C@@H](C)c4ncccc4F)s3)CC2)C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 2/20 0.38
▸ ADRA1A P35348 9/20 0.38
▸ L3MBTL3 Q96JM7 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ VNN1 O95497 2/20 0.34
▸ KDM5A P29375 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL31482096 0.91 ADRA1A (0.46) ACKR3ADRA1A
SCHEMBL31482212 0.91 ADRA1A (0.46) ACKR3ADRA1A
SCHEMBL31482226 0.91 ADRA1A (0.46) ACKR3ADRA1A
SCHEMBL31482088 0.91 ACKR3 (0.39) ACKR3ADRA1AL3MBTL3L3MBTL1MEN1
SCHEMBL31482207 0.91 ACKR3 (0.38) ACKR3ADRA1AL3MBTL3L3MBTL1MEN1
SCHEMBL31482141 0.90 ACKR3 (0.37) ACKR3ADRA1AL3MBTL3L3MBTL1MEN1
SCHEMBL31482186 0.89 ADRA1A (0.38) ACKR3ADRA1AL3MBTL3L3MBTL1MEN1
SCHEMBL31482113 0.89 ACKR3 (0.37) ACKR3ADRA1AL3MBTL3L3MBTL1MEN1
SCHEMBL31482199 0.88 ACKR3 (0.38) ACKR3ADRA1AL3MBTL3L3MBTL1MEN1
SCHEMBL31482148 0.88 PROKR1 (0.38) ACKR3ADRA1AL3MBTL3L3MBTL1MEN1

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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