SCHEMBL31482255

SCHEMBL31482255

C[C@@H]1CCCN(C2CCN(C(=O)c3sc(N[C@@H](C)c4ncccc4F)nc3Br)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 16/20 0.43
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ACKR3 P25106 2/20 0.37

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
SCHEMBL31482129 0.92 ADRA1A (0.45) ADRA1AACKR3
SCHEMBL31482168 0.92 ADRA1A (0.45) ADRA1AACKR3
SCHEMBL31482261 0.91 ADRA1A (0.43) ADRA1AACKR3
SCHEMBL31482188 0.90 ADRA1A (0.43) ADRA1AACKR3
SCHEMBL31482214 0.90 ADRA1A (0.43) ADRA1AACKR3
SCHEMBL31482187 0.89 ADRA1A (0.42) ADRA1AACKR3
SCHEMBL31482226 0.86 ADRA1A (0.46) ADRA1AACKR3
SCHEMBL31482096 0.86 ADRA1A (0.46) ADRA1AACKR3
SCHEMBL31482212 0.86 ADRA1A (0.46) ADRA1AACKR3
SCHEMBL31482161 0.75 ADRA1A (0.49) ADRA1A

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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