SCHEMBL17480256

SCHEMBL17480256

COC1=CC(=O)N(c2ccc3[nH]cnc3c2)C1c1ccc(N2CCNCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 17/20 0.69
▸ QPCTL Q9NXS2 2/20 0.38
▸ HTR3E A5X5Y0 1/20 0.37
▸ HTR3B O95264 1/20 0.37
▸ ADRB1 P08588 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ HTR3D Q70Z44 1/20 0.37
▸ HTR3C Q8WXA8 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ PLK4 O00444 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ HTR6 P50406 1/20 0.35

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
SCHEMBL12274111 0.91 QPCT (0.71) QPCTQPCTL
SCHEMBL12274017 0.91 QPCT (0.69) QPCTQPCTL
SCHEMBL12274886 0.91 QPCT (0.71) QPCTQPCTL
SCHEMBL12274695 0.90 QPCT (0.68) QPCTQPCTL
SCHEMBL12275356 0.90 QPCT (0.68) QPCTQPCTL
SCHEMBL12274316 0.89 QPCT (0.86) QPCTQPCTL
SCHEMBL12273882 0.88 QPCT (0.66) QPCTQPCTLFLT3
SCHEMBL12274174 0.88 QPCT (0.66) QPCTQPCTL
SCHEMBL12274258 0.85 QPCT (0.60) QPCTQPCTL
SCHEMBL12274554 0.85 QPCT (0.61) QPCTQPCTL

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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