SCHEMBL31482186

SCHEMBL31482186

CCC1CCCN(C2CCN(C(=O)c3cnc(N[C@@H](C)c4ncccc4F)s3)CC2)C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 9/20 0.38
▸ ACKR3 P25106 2/20 0.37
▸ RORC P51449 1/20 0.36
▸ L3MBTL3 Q96JM7 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ADRA2C P18825 2/20 0.35
▸ CCR3 P51677 2/20 0.34

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
SCHEMBL31482220 0.94 ADRA1A (0.37) ADRA1AACKR3L3MBTL3L3MBTL1MEN1
SCHEMBL31482237 0.94 ADRA1A (0.37) ADRA1AACKR3L3MBTL3L3MBTL1MEN1
SCHEMBL31482176 0.92 ADRA1A (0.39) ADRA1AACKR3L3MBTL3L3MBTL1ADRA2C
SCHEMBL31482254 0.90 ADRA2C (0.47) ADRA1AACKR3L3MBTL3L3MBTL1MEN1
SCHEMBL31482226 0.90 ADRA1A (0.46) ADRA1AACKR3
SCHEMBL31482096 0.90 ADRA1A (0.46) ADRA1AACKR3
SCHEMBL31482212 0.90 ADRA1A (0.46) ADRA1AACKR3
SCHEMBL31482207 0.89 ACKR3 (0.38) ADRA1AACKR3L3MBTL3L3MBTL1MEN1
SCHEMBL31482088 0.89 ACKR3 (0.39) ADRA1AACKR3L3MBTL3L3MBTL1MEN1
SCHEMBL31482229 0.89 ACKR3 (0.38) ADRA1AACKR3L3MBTL3L3MBTL1MEN1

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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