SCHEMBL8840445

SCHEMBL8840445

C=CCOCc1nccc(N(c2ccccc2)C2CCCCC2)c1OC

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 9/20 0.35
KCNA3 P22001 1/20 0.34
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
KMT2A Q03164 1/20 0.32
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
SCHEMBL8840512 0.87 KCNA3 (0.38) TRPM8KCNA3ALDH1A1KDM4EMEN1
SCHEMBL8840576 0.81 TRPM8 (0.32) TRPM8
SCHEMBL9033513 0.78 KCNA3 (0.41) TRPM8KCNA3ALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL8704982 0.77 KCNA3 (0.40) TRPM8KCNA3ALDH1A1KDM4EMEN1
SCHEMBL8840550 0.74 L3MBTL1 (0.35) KMT2A
SCHEMBL8840549 0.73 ALDH1A1 (0.37) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL9040850 0.73 NPC1 (0.42) TRPM8ALDH1A1MEN1CYP3A4KMT2A
SCHEMBL8840443 0.73 L3MBTL1 (0.33)
SCHEMBL8840520 0.72 NPC1 (0.41) TRPM8ALDH1A1MEN1CYP3A4KMT2A
SCHEMBL8840449 0.71 OPRM1 (0.31) OPRM1

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