SCHEMBL31568339

SCHEMBL31568339

Cn1cc(C2CN(C(=O)c3cn(C(C)(C)C)cn3)Cc3ccccc32)cn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 1/20 0.37
▸ SLC6A2 P23975 11/20 0.36
▸ SLC6A4 P31645 11/20 0.36
▸ SLC6A3 Q01959 11/20 0.36
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ NAMPT P43490 2/20 0.34
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ SSTR1 P30872 1/20 0.32
▸ SSTR4 P31391 1/20 0.32

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
SCHEMBL31568322 0.85 USP30 (0.39) RBP4SLC6A2SLC6A4SLC6A3ESR1
SCHEMBL31568305 0.80 USP30 (0.41) SLC6A2SLC6A4SLC6A3ESR1ESR2
SCHEMBL31710983 0.80 SCD5 (0.39) SLC6A2SLC6A4SLC6A3ESR1ESR2
SCHEMBL31568342 0.78 NR2E1 (0.43) SLC6A2SLC6A4SLC6A3ESR1ESR2
SCHEMBL31711218 0.78 CHRNA4 (0.42) SLC6A2SLC6A4SLC6A3ESR1ESR2
SCHEMBL24726841 0.78 MAPK1 (0.46) SLC6A2SLC6A4SLC6A3NAMPT
SCHEMBL30781978 0.78 MAPK1 (0.46) SLC6A2SLC6A4SLC6A3NAMPT
SCHEMBL31568295 0.77 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3ESR1ESR2
SCHEMBL31568315 0.77 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3ESR1ESR2
SCHEMBL31568341 0.77 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3ESR1ESR2

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
CN-119998270-A Microbiocidal pyrazole derivatives 先正达农作物保护股份公司 2025-05-13 — — CN disclosed
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