SCHEMBL27471040

SCHEMBL27471040

CN1CCN(Cc2[c]ccnc2N2CCC(CO)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 13/20 0.39
▸ KCNH2 Q12809 1/20 0.37
▸ PIK3CA P42336 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ HIF1A Q16665 1/20 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
SCHEMBL27501203 0.88 CHIA (0.35) KCNH2PIK3CAMTORACHEHRH3
SCHEMBL27471926 0.88 KHK (0.41) PDE10APIK3CAMTOR
SCHEMBL7680859 0.84 HTR2C (0.38) —
SCHEMBL7678922 0.83 HRH3 (0.39) HRH3
SCHEMBL7679625 0.83 HRH3 (0.39) HRH3
SCHEMBL7679628 0.81 MC4R (0.37) —
SCHEMBL7681799 0.79 JAK3 (0.37) PDE10A
SCHEMBL7672759 0.74 KDM4E (0.43) PIK3CA
SCHEMBL7679970 0.73 MC4R (0.42) HRH3
SCHEMBL7681200 0.72 KDM4E (0.32) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1146542-C Benzamide derivatives and their use as cytokine inhibitors — 2004-04-21 — — CN disclosed
CN-1319092-A Benzamide derivatives and their use as cytokine inhibitors ASTRAZENECA AB (SE) 2001-10-24 — — CN disclosed
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