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Sugi Predict / Compounds / SCHEMBL29662002

SCHEMBL29662002

SCHEMBL29662002

CS(=O)(=O)N1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2cc(F)cc(F)c21

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 14/20 0.50
▸ RORC P51449 2/20 0.45
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ NPY5R Q15761 1/20 0.44
▸ CHRM4 P08173 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ GHSR Q92847 1/20 0.43

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
SCHEMBL4975838 0.88 HDAC1 (0.47) RORCHDAC1HDAC8HDAC6
SCHEMBL4975832 0.88 HDAC1 (0.47) RORCHDAC1HDAC8HDAC6
SCHEMBL29661999 0.86 TACR1 (0.57) TACR1NPY5RGHSR
SCHEMBL8067334 0.86 TACR1 (0.57) TACR1NPY5RGHSR
SCHEMBL20955073 0.82 XIAP (0.44) TACR1RORCHDAC1HDAC8HDAC6
SCHEMBL2878354 0.81 TACR1 (0.68) TACR1HDAC1HDAC8HDAC6NPY5R
SCHEMBL29661957 0.77 RORC (0.46) TACR1RORCHDAC1HDAC8HDAC6
SCHEMBL2625791 0.77 HDAC1 (0.50) TACR1RORCHDAC1HDAC8HDAC6
SCHEMBL4974614 0.77 HDAC1 (0.50) TACR1RORCHDAC1HDAC8HDAC6
SCHEMBL20955513 0.76 HDAC1 (0.45) RORCHDAC1HDAC8HDAC6

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-114716504-A Growth hormone secretagogue derivative and preparation method thereof 上海拓界生物医药科技有限公司 2022-07-08 — — CN disclosed