SCHEMBL7683687

SCHEMBL7683687

NCCNc1c[c]cc(N2CCOCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CB P42338 8/20 0.39
▸ CXCR4 P61073 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ PIK3CA P42336 4/20 0.38
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ OGA O60502 1/20 0.36
▸ SYK P43405 3/20 0.36
▸ ACHE P22303 1/20 0.36
▸ CRHBP P24387 2/20 0.35
▸ CRHR2 Q13324 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PKM P14618 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
SCHEMBL5897222 0.93 ALDH1A1 (0.44) PIK3CBALDH1A1GLAPIK3CAOGA
SCHEMBL7683991 0.91 ALDH1A1 (0.43) PIK3CBALDH1A1GLAPIK3CAOGA
SCHEMBL5897067 0.83 ALDH1A1 (0.43) PIK3CBALDH1A1GLAPIK3CAOGA
SCHEMBL5897076 0.83 KDM4E (0.46) ALDH1A1GLACYP2D6MAPTPOLB
SCHEMBL5897648 0.83 PIK3CB (0.40) PIK3CBALDH1A1GLAPIK3CAPIK3CD
SCHEMBL5897416 0.81 KMT2A (0.39) PIK3CBALDH1A1GLAPIK3CAOGA
SCHEMBL5897116 0.80 PIK3CB (0.37) PIK3CBALDH1A1GLAPIK3CAPIK3CD
SCHEMBL23750482 0.74 KDM4E (0.50) PIK3CBCXCR4ALDH1A1MAPTMEN1
SCHEMBL1089586 0.70 CXCR4 (0.74) PIK3CBCXCR4PIK3CAPIK3CDPIK3CG
SCHEMBL7676555 0.69 CYP1A2 (0.50) CRHBPCRHR2CYP1A2CYP2D6MAPT

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-6432949-B1 Amide derivatives useful as inhibitors of the production of cytokines ASTRAZENECA AB (SE) 2002-08-13 — — US disclosed
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