SCHEMBL7674582

SCHEMBL7674582

NC1CCN(Cc2[c]ccnc2N2CCOCC2)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 3/20 0.38
▸ AKT1 P31749 3/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ PIK3CA P42336 7/20 0.33
▸ PIK3CD O00329 6/20 0.33
▸ PIK3CG P48736 6/20 0.33
▸ PIK3CB P42338 5/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CSF1R P07333 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ SYK P43405 2/20 0.32
▸ MTOR P42345 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.31

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
SCHEMBL7682463 0.86 HRH3 (0.36) CYP1A2CYP2C9PIK3CAPIK3CDPIK3CG
SCHEMBL7675337 0.80 PIK3R1 (0.40) CYP1A2CYP2C9PIK3CAPIK3CDPIK3CG
SCHEMBL7672759 0.76 KDM4E (0.43) CYP1A2CYP2C9PIK3CAPIK3CDKDM4E
SCHEMBL7673338 0.75 HRH3 (0.40) CYP1A2CYP2C9PIK3CAPIK3CDPIK3CG
SCHEMBL7675925 0.68 CYP2D6 (0.45) KDM4E
SCHEMBL7679170 0.68 CYP2C19 (0.53) KDM4EGAA
SCHEMBL27501203 0.67 CHIA (0.35) HRH4PIK3CAKDM4EGAAHRH3
SCHEMBL1599910 0.66 KDM4E (0.45) CYP1A2CYP2C9PIK3CAKDM4EGAA
SCHEMBL1602160 0.66 KDM4E (0.45) CYP1A2CYP2C9PIK3CAKDM4EGAA
SCHEMBL7679097 0.66 CYP2C19 (0.48) PIK3CAGAAHRH3MTOR

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 3 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
US-6455520-B1 TUMOR NECROSIS FACTOR AND INTERLEUKIN INHIBITORS; ANTIINFLAMMATORY AGENTS, ANTIALLERGENS; BONE DISORDERS ASTRA ZENECA AB (SE) 2002-09-24 — — US disclosed
CN-1319092-A Benzamide derivatives and their use as cytokine inhibitors ASTRAZENECA AB (SE) 2001-10-24 — — CN disclosed
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