SCHEMBL10188247

SCHEMBL10188247

Nc1ccnc(NC2CCOCC2)n1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 7/20 0.62
▸ HRH4 Q9H3N8 1/20 0.56
▸ MKNK1 Q9BUB5 6/20 0.51
▸ MKNK2 Q9HBH9 6/20 0.51
▸ RET P07949 1/20 0.50
▸ PLK4 O00444 1/20 0.48
▸ PIK3C3 Q8NEB9 2/20 0.46
▸ PIK3CD O00329 1/20 0.44
▸ CTSK P43235 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ MAPK3 P27361 1/20 0.43
▸ MAPK10 P53779 1/20 0.43

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
SCHEMBL15688949 0.88 HRH4 (0.51) MAPK1HRH4MKNK2RETCTSK
SCHEMBL10187331 0.85 CTSK (0.58) HRH4MKNK2RETPLK4CTSK
SCHEMBL8303185 0.81 HRH3 (0.59) MAPK1HRH4MKNK1MKNK2PLK4
SCHEMBL15830033 0.81 MAPK1 (0.62) MAPK1HRH4MKNK1MKNK2RET
SCHEMBL29499534 0.79 MAPK1 (0.55) MAPK1HRH4MKNK1MKNK2RET
SCHEMBL16220909 0.78 MAPK1 (0.58) MAPK1HRH4MKNK1MKNK2RET
SCHEMBL14004978 0.77 MAPK1 (0.57) MAPK1HRH4MKNK1MKNK2RET
SCHEMBL19171094 0.77 MAPK1 (0.57) MAPK1HRH4MKNK1MKNK2RET
SCHEMBL2568620 0.77 MAPK1 (1.00) MAPK1HRH4MKNK1MKNK2RET
SCHEMBL28941129 0.77 MAPK1 (0.49) MAPK1HRH4MKNK1MKNK2RET

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
WO-2012001107-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 — — WO disclosed
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