SCHEMBL7675337

SCHEMBL7675337

CC1CN(Cc2[c]ccnc2N2CCOCC2)CC(C)O1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3R1 P27986 15/20 0.40
▸ PIK3CA P42336 15/20 0.40
▸ MTOR P42345 10/20 0.40
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ PIK3CD O00329 2/20 0.37
▸ PIK3CB P42338 2/20 0.37
▸ PIK3CG P48736 2/20 0.37
▸ MAPK1 P28482 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HSD17B10 Q99714 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
SCHEMBL7674582 0.80 HRH4 (0.38) PIK3CAMTORGAAPIK3CDPIK3CB
SCHEMBL7682463 0.80 HRH3 (0.36) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL7673338 0.78 HRH3 (0.40) PIK3R1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL7672759 0.77 KDM4E (0.43) PIK3CALMNAPIK3CDCYP1A2CYP2C9
SCHEMBL7675387 0.69 PIK3CA (0.44) PIK3R1PIK3CALMNAGAAPIK3CD
SCHEMBL7675925 0.69 CYP2D6 (0.45) KDM4E
SCHEMBL7679170 0.68 CYP2C19 (0.53) LMNAGAAKDM4E
SCHEMBL7678922 0.68 HRH3 (0.39) LMNAGAACYP1A2CYP2C9KDM4E
SCHEMBL1599910 0.67 KDM4E (0.45) PIK3CALMNAGAAMAPK1CYP1A2
SCHEMBL1602160 0.67 KDM4E (0.45) PIK3CALMNAGAAMAPK1CYP1A2

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
US-6455520-B1 TUMOR NECROSIS FACTOR AND INTERLEUKIN INHIBITORS; ANTIINFLAMMATORY AGENTS, ANTIALLERGENS; BONE DISORDERS ASTRA ZENECA AB (SE) 2002-09-24 — — US disclosed
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