SCHEMBL8840626

SCHEMBL8840626

COc1nccc(NC2CCC(c3ccccc3)CC2)c1C#N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ MGLL Q99685 1/20 0.37
▸ SQOR Q9Y6N5 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ GRM2 Q14416 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ PRCP P42785 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
SCHEMBL8840627 1.00 MEN1 (0.39) MEN1ALDH1A1KMT2ARAB9ANPC1
SCHEMBL8706055 0.83 MGLL (0.39) ALDH1A1MAPTMGLLGRM2HTR1A
SCHEMBL8706057 0.83 MGLL (0.39) ALDH1A1MAPTMGLLGRM2HTR1A
SCHEMBL8708959 0.83 MGLL (0.39) ALDH1A1MAPTMGLLGRM2HTR1A
SCHEMBL8840615 0.82 GRM2 (0.41) ALDH1A1HTTGRM2TSHRPRCP
SCHEMBL8840620 0.82 GRM2 (0.41) ALDH1A1HTTGRM2TSHRPRCP
SCHEMBL8840539 0.82 FGFR2 (0.42) MEN1ALDH1A1KMT2ARAB9ANPC1
SCHEMBL8840534 0.82 FGFR2 (0.42) MEN1ALDH1A1KMT2ARAB9ANPC1
SCHEMBL8705788 0.82 MGLL (0.39) ALDH1A1MGLLGRM2HTR1AADRA1D
SCHEMBL8705787 0.82 MGLL (0.39) ALDH1A1MGLLGRM2HTR1AADRA1D

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650417-A Substituted pyridines, their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1997-07-22 — — US disclosed
EP-0719255-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1996-07-03 — — EP disclosed
WO-1995007890-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 — — WO disclosed
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