SCHEMBL9799356

SCHEMBL9799356

Nc1cccc(CCCCc2ccccc2)c1

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.83
MAOA P21397 6/20 0.83
CYP19A1 P11511 1/20 0.67
SIGMAR1 Q99720 2/20 0.65
IGF1R P08069 1/20 0.52
ALOX15 P16050 1/20 0.52
CYP2D6 P10635 1/20 0.48
HTR2A P28223 1/20 0.48
PRMT1 Q99873 1/20 0.47
IDO1 P14902 1/20 0.47

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
SCHEMBL17064843 0.98 MAOB (0.80) MAOBMAOACYP19A1SIGMAR1IGF1R
SCHEMBL9798986 0.96 MAOB (0.83) MAOBMAOACYP19A1SIGMAR1IGF1R
SCHEMBL29436975 0.93 MAOB (0.71) MAOBMAOACYP19A1SIGMAR1
SCHEMBL18045550 0.93 MAOB (0.71) MAOBMAOACYP19A1SIGMAR1
SCHEMBL30637158 0.91 MAOB (0.68) MAOBMAOACYP19A1SIGMAR1
SCHEMBL30211975 0.91 MAOB (0.68) MAOBMAOACYP19A1SIGMAR1
SCHEMBL28770903 0.91 MAOB (0.68) MAOBMAOACYP19A1SIGMAR1
SCHEMBL4302379 0.91 MAOB (1.00) MAOBMAOACYP19A1SIGMAR1HTR2A
SCHEMBL1026806 0.89 MAOB (0.71) MAOBMAOACYP19A1SIGMAR1HTR2A
SCHEMBL29437072 0.89 MAOB (0.71) MAOBMAOACYP19A1SIGMAR1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5015762-A Alkoxy substituted ureas as herbicides BASF AKTIENGESELLSCHAFT (DE) 1991-05-14 US disclosed
EP-0041145-B1 ARALKYL-PHENYL UREAS AND THEIR HERBICIDAL COMPOSITIONS BASF Aktiengesellschaft (DE) 1984-12-19 EP disclosed
US-4422871-A Aralkylphenylureas and herbicides containing these BASF AKTIENGESELLSCHAFT (DE) 1983-12-27 US disclosed
EP-0041145-A2 Aralkyl-phenyl ureas and their herbicidal compositions BASF Aktiengesellschaft (DE) 1981-12-09 EP disclosed