SCHEMBL31482143

SCHEMBL31482143

CCCOC1CCCN(C2CCN(C(=O)c3cnc(N(C)Cc4ccccn4)s3)CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.45
▸ ADRA1A P35348 9/20 0.41
▸ ALDH1A1 P00352 1/20 0.37
▸ BCHE P06276 1/20 0.36
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ L3MBTL3 Q96JM7 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ACACB O00763 1/20 0.35
▸ ACACA Q13085 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 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
SCHEMBL31482209 0.94 ADRA1A (0.41) KMT2AADRA1AALDH1A1BCHEL3MBTL3
SCHEMBL31482174 0.90 ADRA1A (0.40) KMT2AADRA1AALDH1A1L3MBTL3L3MBTL1
SCHEMBL31482170 0.87 ADRA2C (0.43) KMT2AADRA1AALDH1A1BCHEL3MBTL3
SCHEMBL31482083 0.87 ADRA1A (0.43) KMT2AADRA1AALDH1A1L3MBTL3L3MBTL1
SCHEMBL31482260 0.85 ADRA1A (0.46) KMT2AADRA1AALDH1A1BCHELMNA
SCHEMBL31482259 0.85 ADRA1A (0.46) KMT2AADRA1AALDH1A1BCHELMNA
SCHEMBL31482210 0.81 ALDH1A1 (0.38) KMT2AADRA1AALDH1A1L3MBTL3L3MBTL1
SCHEMBL31482172 0.71 BCHE (0.41) KMT2AADRA1ABCHEL3MBTL3L3MBTL1
SCHEMBL31482153 0.68 KDM4E (0.44) KMT2AALDH1A1
SCHEMBL31482107 0.68 MLYCD (0.44) KMT2AALDH1A1

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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