SCHEMBL27957173

SCHEMBL27957173

O=CC1NCN(c2ccc3[nH]cnc3c2)C1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 8/20 0.39
▸ IP6K1 Q92551 1/20 0.36
▸ CCR5 P51681 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL27957178 0.79 QPCT (0.46) QPCT
SCHEMBL27957165 0.74 QPCT (0.43) QPCTIP6K1CCR5
SCHEMBL1444262 0.74 QPCT (0.52) QPCTIP6K1
SCHEMBL28811970 0.72 QPCT (0.41) QPCTIP6K1CCR5
SCHEMBL1673469 0.71 NUDT1 (0.46) QPCTIP6K1CCR5
SCHEMBL29445215 0.68 QPCT (0.52) QPCTIP6K1
SCHEMBL29445191 0.68 QPCT (0.52) QPCTIP6K1
SCHEMBL20853792 0.68 QPCT (0.52) QPCTIP6K1
SCHEMBL21373482 0.68 QPCT (0.40) QPCTIP6K1CCR5
SCHEMBL1444543 0.68 QPCT (0.72) QPCT

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
CN-102695546-B Heterocylcic derivatives as inhibitors of glutaminyl cyclase PROBIODRUG AG 2014-09-10 — — CN claimed
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