SCHEMBL31482170

SCHEMBL31482170

CN(Cc1ccccn1)c1ncc(C(=O)N2CCC(N3CCCC(COC4CCC4)C3)CC2)s1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 2/20 0.43
▸ ADRA1A P35348 10/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ KMT2A Q03164 2/20 0.38
▸ BCHE P06276 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ L3MBTL3 Q96JM7 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL31482083 0.89 ADRA1A (0.43) ADRA2CADRA1AALDH1A1KMT2ALMNA
SCHEMBL31482259 0.89 ADRA1A (0.46) ADRA1AALDH1A1KMT2ABCHELMNA
SCHEMBL31482260 0.89 ADRA1A (0.46) ADRA1AALDH1A1KMT2ABCHELMNA
SCHEMBL31482209 0.89 ADRA1A (0.41) ADRA1AALDH1A1KMT2ABCHELMNA
SCHEMBL31482143 0.87 KMT2A (0.45) ADRA1AALDH1A1KMT2ABCHELMNA
SCHEMBL31482174 0.86 ADRA1A (0.40) ADRA1AALDH1A1KMT2AL3MBTL3L3MBTL1
SCHEMBL31482210 0.80 ALDH1A1 (0.38) ADRA1AALDH1A1KMT2AL3MBTL3L3MBTL1
SCHEMBL31482146 0.79 ADRA2C (0.51) ADRA2CADRA1AL3MBTL3L3MBTL1
SCHEMBL31482196 0.74 ADRA1A (0.57) ADRA2CADRA1AL3MBTL3L3MBTL1
SCHEMBL31482153 0.69 KDM4E (0.44) ALDH1A1KMT2AKDM4E

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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