SCHEMBL6937906

SCHEMBL6937906

CCC(C)C(=NNc1ccccc1)C1CC1c1cccc(O)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DEGS1 O15121 1/20 0.35
LMNA P02545 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
GPR88 Q9GZN0 2/20 0.34
KDM1A O60341 2/20 0.33
FFAR1 O14842 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33

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
SCHEMBL6939424 0.74 HTR2A (0.44) HTR2AHTR2CHTR2BGPR88KDM1A
SCHEMBL8013432 0.66 MGLL (0.46) HTR2AHTR2CHTR2BDEGS1KDM1A
SCHEMBL4775489 0.65 FFAR1 (0.50) HTR2AHTR2CHTR2BDEGS1FFAR1
SCHEMBL28678691 0.65 FFAR1 (0.50) HTR2AHTR2CHTR2BDEGS1FFAR1
SCHEMBL28669621 0.65 FFAR1 (0.50) HTR2AHTR2CHTR2BDEGS1FFAR1
SCHEMBL25169879 0.65 FFAR1 (0.50) HTR2AHTR2CHTR2BDEGS1FFAR1
SCHEMBL23923588 0.64 HTR2A (0.56) HTR2AHTR2CHTR2BLMNAKDM1A
SCHEMBL23923443 0.64 HTR2A (0.56) HTR2AHTR2CHTR2BLMNAKDM1A
SCHEMBL30317790 0.64 HTR2A (0.56) HTR2AHTR2CHTR2BLMNAKDM1A
SCHEMBL23923444 0.64 HTR2A (0.56) HTR2AHTR2CHTR2BLMNAKDM1A

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
EP-1050528-B1 Fungicidal and insecticidal benzyloxy cyclopropyl substituted aromatic compounds DOW AGROSCIENCES LLC (US) 2003-01-22 EP disclosed
US-6335367-B1 Fungicidal and insecticidal benzyloxy cyclopropyl substituted aromatic compounds DOW AGROSCIENCES LLC 2002-01-01 US disclosed
EP-1050528-A1 Fungicidal and insecticidal benzyloxy cyclopropyl substituted aromatic compounds ROHM AND HAAS COMPANY (US) 2000-11-08 EP disclosed