SCHEMBL27957165

SCHEMBL27957165

O=CC1NCC(c2ccccc2)N1c1ccc2[nH]cnc2c1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 17/20 0.43
▸ IP6K1 Q92551 1/20 0.39
▸ CCR5 P51681 1/20 0.36
▸ QPCTL Q9NXS2 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
SCHEMBL28811970 0.82 QPCT (0.41) QPCTIP6K1CCR5QPCTL
SCHEMBL28028756 0.75 ACHE (0.38) —
SCHEMBL1444543 0.75 QPCT (0.72) QPCTQPCTL
SCHEMBL27957173 0.74 QPCT (0.39) QPCTIP6K1CCR5
SCHEMBL20853792 0.74 QPCT (0.52) QPCTIP6K1QPCTL
SCHEMBL29445191 0.74 QPCT (0.52) QPCTIP6K1QPCTL
SCHEMBL29445215 0.74 QPCT (0.52) QPCTIP6K1QPCTL
SCHEMBL1444549 0.72 QPCT (0.50) QPCTIP6K1QPCTL
SCHEMBL21373669 0.72 QPCT (0.41) QPCTIP6K1CCR5QPCTL
SCHEMBL1673469 0.71 NUDT1 (0.46) QPCTIP6K1CCR5

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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