SCHEMBL26903459

SCHEMBL26903459

CC(=O)[C@@H](C)CCCCNC(=N)N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ITGB3 P05106 4/20 0.38
▸ ITGA2B P08514 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ PAOX Q6QHF9 2/20 0.36
▸ DPP7 Q9UHL4 2/20 0.35
▸ GNAI3 P08754 1/20 0.34
▸ GNAO1 P09471 1/20 0.34
▸ GNAI1 P63096 1/20 0.34
▸ SIRT6 Q8N6T7 1/20 0.34
▸ SIRT1 Q96EB6 1/20 0.34
▸ NPY4R P50391 3/20 0.34
▸ NPY1R P25929 2/20 0.34
▸ NPY2R P49146 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
SCHEMBL17898609 1.00 ALOX15 (0.41) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL16250509 0.95 ALOX15 (0.39) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL13971378 0.95 ALOX15 (0.39) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL20713759 0.87 ALOX15 (0.42) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL20713867 0.86 ITGB3 (0.48) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL16627562 0.85 KDM4E (0.40) MEN1KMT2AITGB3ITGA2BKDM4E
SCHEMBL20713735 0.83 ALOX15 (0.39) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL10190380 0.82 DPP7 (0.46) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL16421890 0.82 DPP7 (0.46) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL13320657 0.82 DPP7 (0.46) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2

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-2023225661-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-23 — — WO disclosed
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