SCHEMBL5897116

SCHEMBL5897116

CC(C)(N)CNc1c[c]cc(N2CCOCC2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CB P42338 8/20 0.37
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ CRHBP P24387 2/20 0.36
▸ CRHR2 Q13324 2/20 0.36
▸ PIK3CA P42336 3/20 0.36
▸ LMNA P02545 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ PIK3R1 P27986 1/20 0.33
▸ RAF1 P04049 1/20 0.33
▸ BRAF P15056 1/20 0.33

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
SCHEMBL7683687 0.80 PIK3CB (0.39) PIK3CBCRHBPCRHR2PIK3CAPKM
SCHEMBL5897222 0.79 ALDH1A1 (0.44) PIK3CBCRHBPCRHR2PIK3CATSHR
SCHEMBL7683991 0.77 ALDH1A1 (0.43) PIK3CBCRHBPCRHR2PIK3CATSHR
SCHEMBL5897067 0.77 ALDH1A1 (0.43) PIK3CBCRHBPCRHR2PIK3CAPKM
SCHEMBL5897648 0.77 PIK3CB (0.40) PIK3CBCRHBPCRHR2PIK3CALMNA
SCHEMBL5897416 0.75 KMT2A (0.39) PIK3CBCRHBPCRHR2PIK3CALMNA
SCHEMBL5897076 0.74 KDM4E (0.46) LMNAPKMTSHRKMT2AALDH1A1
SCHEMBL4781313 0.70 KMT2A (0.51) PIK3CBCRHBPCRHR2LMNAPKM
SCHEMBL5897129 0.68 HRH4 (0.55) PIK3CBCRHBPCRHR2KMT2AALDH1A1
SCHEMBL5896965 0.68 HRH3 (0.43) PIK3CBCRHBPCRHR2PIK3CAKMT2A

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-7060700-B2 Amide derivatives useful as inhibitors of the production of cytokines ASTRAZENECA AB (SE) 2006-06-13 — — US disclosed
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