SCHEMBL29227963

SCHEMBL29227963

O=S(=O)(O)CC1CN(c2ccc(C3CC3)cn2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 5/20 0.39
▸ PANK3 Q9H999 1/20 0.38
▸ CHRNA7 P36544 2/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ LCAT P04180 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PDE10A Q9Y233 3/20 0.34
▸ GRM1 Q13255 2/20 0.32
▸ DGAT1 O75907 1/20 0.32
▸ TNF P01375 1/20 0.32
▸ LMNA P02545 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
SCHEMBL22129474 0.81 PDE10A (0.46) PANK3KMT2APDE10A
SCHEMBL23044953 0.81 GPR119 (0.47) ACACB
SCHEMBL29227971 0.78 ACACB (0.43) ACACBPANK3CHRNA7LCATSMN1; SMN2
SCHEMBL30932097 0.78 ACACB (0.43) ACACBPANK3CHRNA7LCATSMN1; SMN2
SCHEMBL2510938 0.73 GPR119 (0.39) ACACBJAK2JAK1TYK2KMT2A
SCHEMBL6576692 0.71 KDM4E (0.55) KMT2AKDM4ELMNA
SCHEMBL30932095 0.70 CHRNA7 (0.48) ACACBPANK3CHRNA7LCATSMN1; SMN2
SCHEMBL22129464 0.69 SMO (0.41) —
SCHEMBL27848379 0.69 PANK3 (0.54) ACACBPANK3LCATSMN1; SMN2KMT2A
SCHEMBL12240393 0.68 CHRNA7 (0.50) PANK3CHRNA7LCATSMN1; SMN2KMT2A

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-112409333-B Phenylpyrrolidine compounds 武汉人福创新药物研发中心有限公司 2024-06-14 — — CN disclosed
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