SCHEMBL8840436

SCHEMBL8840436

C=CCOCc1nccc(N[C@H]2CC[C@@H](c3ccccc3)CC2)c1OC

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
GRM2 Q14416 3/20 0.33
PRCP P42785 1/20 0.32
HCRTR2 O43614 1/20 0.31
MAPT P10636 1/20 0.31
GRIN2B Q13224 1/20 0.30
NR3C1 P04150 1/20 0.30
MGLL Q99685 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ORAI1 Q96D31 1/20 0.30
TRPV6 Q9H1D0 1/20 0.30

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
SCHEMBL8840429 1.00 HTR1A (0.33) HTR1AADRA1DADRA1AADRA1BGRM2
SCHEMBL8840507 0.86 GRM2 (0.39) HTR1AADRA1DADRA1AADRA1BGRM2
SCHEMBL8840497 0.86 GRM2 (0.39) HTR1AADRA1DADRA1AADRA1BGRM2
SCHEMBL8840573 0.84 FGFR2 (0.37) ALDH1A1
SCHEMBL8840570 0.84 FGFR2 (0.37) ALDH1A1
SCHEMBL8705767 0.83 HTR1A (0.38) HTR1AADRA1DADRA1AADRA1BGRM2
SCHEMBL8705766 0.83 HTR1A (0.38) HTR1AADRA1DADRA1AADRA1BGRM2
SCHEMBL8840433 0.80 PRMT5 (0.36) HTR1AADRA1DADRA1AADRA1BGRM2
SCHEMBL8840426 0.80 PRMT5 (0.36) HTR1AADRA1DADRA1AADRA1BGRM2
SCHEMBL8706057 0.77 MGLL (0.39) HTR1AADRA1DADRA1AADRA1BGRM2

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