SCHEMBL25848673

SCHEMBL25848673

CCC1=CCN(C(=O)C(C)(C)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 9/20 0.43
▸ FASN P49327 1/20 0.39
▸ KCNH2 Q12809 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ QDPR P09417 1/20 0.33
▸ HRH2 P25021 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ RIPK1 Q13546 1/20 0.32
▸ PDK4 Q16654 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
SCHEMBL13900834 0.80 QDPR (0.45) NAMPTHRH3MEN1KMT2ANPC1
SCHEMBL21840081 0.80 ALDH1A1 (0.36) KCNH2HRH3MEN1KMT2ANPC1
SCHEMBL21252975 0.79 GRM1 (0.43) NAMPTMEN1KMT2A
SCHEMBL20458849 0.79 NAMPT (0.41) NAMPTKCNH2HRH3NPC1TSHR
SCHEMBL12566963 0.78 PDK4 (0.48) NAMPTSMN1; SMN2PDK4
SCHEMBL12142171 0.78 BLM (0.40) NAMPTMEN1KMT2ANPC1ALDH1A1
SCHEMBL8117386 0.75 MAPT (0.43) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL25628761 0.75 MEN1 (0.37) NAMPTMEN1KMT2ANPC1ALDH1A1
SCHEMBL19454525 0.75 MAPT (0.38) KCNH2HRH3MEN1KMT2ANPC1
SCHEMBL19454551 0.75 GRM5 (0.40) KCNH2HRH3HRH2HRH1PDK4

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-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 — — WO disclosed
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