SCHEMBL31482212

SCHEMBL31482212

C[C@@H]1CCCN(C2CCN(C(=O)c3cnc(N[C@H](C)c4ncccc4F)s3)CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 18/20 0.46
▸ ACKR3 P25106 2/20 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
SCHEMBL31482096 1.00 ADRA1A (0.46) ADRA1AACKR3
SCHEMBL31482226 1.00 ADRA1A (0.46) ADRA1AACKR3
SCHEMBL31482088 0.91 ACKR3 (0.39) ADRA1AACKR3
SCHEMBL31482229 0.91 ACKR3 (0.38) ADRA1AACKR3
SCHEMBL31482207 0.91 ACKR3 (0.38) ADRA1AACKR3
SCHEMBL31482156 0.91 ADRA1A (0.45) ADRA1A
SCHEMBL31482114 0.90 ADRA1A (0.44) ADRA1A
SCHEMBL31482186 0.90 ADRA1A (0.38) ADRA1AACKR3
SCHEMBL31482113 0.90 ACKR3 (0.37) ADRA1AACKR3
SCHEMBL31482199 0.89 ACKR3 (0.38) ADRA1AACKR3

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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