SCHEMBL17480362

SCHEMBL17480362

NN(C1=CC(=O)N(c2ccc3[nH]cnc3c2)C1c1ccc(N2CCOCC2)cc1)C1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 12/20 0.60
▸ PIK3CD O00329 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ SYK P43405 2/20 0.34
▸ MAP3K11 Q16584 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ ADORA3 P0DMS8 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ TTK P33981 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ AURKB Q96GD4 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
SCHEMBL12274884 0.85 QPCT (0.61) QPCTPIK3CDPIK3CAPIK3CBSYK
SCHEMBL12274609 0.84 QPCT (0.65) QPCTPIK3CDPIK3CAPIK3CBADORA3
SCHEMBL12274090 0.82 QPCT (0.88) QPCTPIK3CDPIK3CAPIK3CBSYK
SCHEMBL12274087 0.81 QPCT (0.80) QPCTPIK3CDPIK3CAPIK3CBMAP3K11
SCHEMBL12274785 0.80 QPCT (0.65) QPCTPIK3CDPIK3CAPIK3CBSYK
SCHEMBL12274111 0.78 QPCT (0.71) QPCTPIK3CDPIK3CAPIK3CBMAP3K11
SCHEMBL12273938 0.78 QPCT (0.61) QPCTPIK3CDPIK3CAPIK3CBSYK
SCHEMBL12456210 0.78 QPCT (0.61) QPCTPIK3CDPIK3CAPIK3CBMAP3K11
SCHEMBL12274712 0.77 QPCT (0.74) QPCTPIK3CDPIK3CAPIK3CBSYK
SCHEMBL12274190 0.77 QPCT (0.73) QPCTPIK3CDPIK3CAPIK3CBMAP3K11

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
EP-2686313-B1 BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2016-02-03 — — EP disclosed
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