SCHEMBL31482149

SCHEMBL31482149

C[C@H](Nc1ncc(C(=O)N2CCC(N3CCCC(OCC4CC4)C3)CC2)s1)c1ncccc1F

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 9/20 0.46
▸ ADRA2C P18825 3/20 0.44
▸ ACKR3 P25106 2/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ L3MBTL3 Q96JM7 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CHRM2 P08172 2/20 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
SCHEMBL31482254 0.94 ADRA2C (0.47) ADRA1AADRA2CACKR3L3MBTL3L3MBTL1
SCHEMBL31482199 0.90 ACKR3 (0.38) ADRA1AADRA2CACKR3L3MBTL3L3MBTL1
SCHEMBL31482141 0.90 ACKR3 (0.37) ADRA1AADRA2CACKR3L3MBTL3L3MBTL1
SCHEMBL31482176 0.89 ADRA1A (0.39) ADRA1AADRA2CACKR3L3MBTL3L3MBTL1
SCHEMBL31482186 0.88 ADRA1A (0.38) ADRA1AADRA2CACKR3L3MBTL3L3MBTL1
SCHEMBL31482226 0.86 ADRA1A (0.46) ADRA1AACKR3
SCHEMBL31482212 0.86 ADRA1A (0.46) ADRA1AACKR3
SCHEMBL31482096 0.86 ADRA1A (0.46) ADRA1AACKR3
SCHEMBL31482220 0.86 ADRA1A (0.37) ADRA1AADRA2CACKR3L3MBTL3L3MBTL1
SCHEMBL31482237 0.86 ADRA1A (0.37) ADRA1AADRA2CACKR3L3MBTL3L3MBTL1

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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