SCHEMBL31482215

SCHEMBL31482215

CC(C)C1CCCN(C2CCN(C(=O)c3csc(N(C)Cc4ccccn4)n3)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ADRA1A P35348 3/20 0.40
▸ PDE5A O76074 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE7A Q13946 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ UCHL1 P09936 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.37
▸ ACACB O00763 1/20 0.37
▸ ACACA Q13085 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ EPHX2 P34913 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ AGTR2 P50052 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ EPHX1 P07099 1/20 0.35
▸ CHRM2 P08172 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
SCHEMBL31482193 0.89 BCHE (0.41) BCHELMNAADRA1APDE5APDE4B
SCHEMBL31482172 0.89 BCHE (0.41) BCHELMNAADRA1APDE5APDE4B
SCHEMBL31482209 0.71 ADRA1A (0.41) BCHELMNAADRA1AMEN1KMT2A
SCHEMBL31482112 0.71 MMP1 (0.44) LMNAKMT2AL3MBTL1KDM4E
SCHEMBL31482259 0.70 ADRA1A (0.46) BCHELMNAADRA1AKMT2AKDM4E
SCHEMBL31482260 0.70 ADRA1A (0.46) BCHELMNAADRA1AKMT2AKDM4E
SCHEMBL31482143 0.70 KMT2A (0.45) BCHELMNAADRA1AKMT2AACACB
SCHEMBL31482170 0.70 ADRA2C (0.43) BCHELMNAADRA1AKMT2AL3MBTL1
SCHEMBL31482222 0.69 MAOA (0.43) MEN1KMT2AKDM4E
SCHEMBL31482190 0.65 MAOA (0.39) MEN1KMT2AKDM4E

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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