SCHEMBL9799117

SCHEMBL9799117

Cc1cccc(CCCc2cccc(N)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.60
MAOA P21397 2/20 0.57
MAOB P27338 2/20 0.57
CYP19A1 P11511 1/20 0.55
IDO1 P14902 2/20 0.48
SIGMAR1 Q99720 1/20 0.47
ACHE P22303 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
SLC5A2 P31639 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DAO P14920 1/20 0.41

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
SCHEMBL13622500 0.92 MAOA (0.67) TAAR1MAOAMAOBCYP19A1IDO1
SCHEMBL8099771 0.88 TAAR1 (0.68) TAAR1IDO1ACHEHRH3SLC5A2
SCHEMBL29437072 0.88 MAOB (0.71) MAOAMAOBCYP19A1SIGMAR1NOS1
SCHEMBL1026806 0.88 MAOB (0.71) MAOAMAOBCYP19A1SIGMAR1NOS1
SCHEMBL9799158 0.87 TAAR1 (0.63) TAAR1MAOAMAOBCYP19A1IDO1
SCHEMBL9799262 0.87 CYP19A1 (0.63) TAAR1MAOAMAOBCYP19A1SIGMAR1
SCHEMBL12607302 0.84 TAAR1 (0.53) TAAR1MAOAMAOBCYP19A1IDO1
SCHEMBL29436975 0.83 MAOB (0.71) MAOAMAOBCYP19A1SIGMAR1NOS1
SCHEMBL18045550 0.83 MAOB (0.71) MAOAMAOBCYP19A1SIGMAR1NOS1
SCHEMBL8092500 0.83 TAAR1 (0.68) TAAR1IDO1ACHEHRH3SLC5A2

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 8 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-4437880-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-03-20 US disclosed
US-4422871-A Aralkylphenylureas and herbicides containing these BASF AKTIENGESELLSCHAFT (DE) 1983-12-27 US disclosed
US-4405358-A Aralkylaniline derivatives, and herbicides which contain these compounds BASF AKTIENGESELLSCHAFT (DE) 1983-09-20 US disclosed
EP-0040859-B1 N'-PHENYL-N-METHYLUREA DERIVATIVES, THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-08-03 EP disclosed
EP-0041613-A1 Derivatives of aralkylaniline and herbicides containing these compounds BASF Aktiengesellschaft (DE) 1981-12-16 EP disclosed
EP-0040859-A1 N'-phenyl-N-methylurea derivatives, their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-12-02 EP disclosed