SCHEMBL9799262

SCHEMBL9799262

Cc1ccc(CCCc2cccc(N)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.63
MAOB P27338 5/20 0.60
MAOA P21397 3/20 0.60
SIGMAR1 Q99720 1/20 0.50
IGF1R P08069 1/20 0.49
ALOX15 P16050 1/20 0.49
TAAR1 Q96RJ0 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2A6 P11509 1/20 0.45
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
SLC5A2 P31639 1/20 0.45
HDAC6 Q9UBN7 1/20 0.43
HTR2A P28223 1/20 0.42
KCNH2 Q12809 1/20 0.42
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 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
SCHEMBL9799117 0.87 TAAR1 (0.60) CYP19A1MAOBMAOASIGMAR1TAAR1
SCHEMBL841378 0.86 CYP19A1 (0.84) CYP19A1MAOBMAOASIGMAR1HTR2A
SCHEMBL1026806 0.86 MAOB (0.71) CYP19A1MAOBMAOASIGMAR1NOS1
SCHEMBL29437072 0.86 MAOB (0.71) CYP19A1MAOBMAOASIGMAR1NOS1
SCHEMBL9799795 0.85 CYP19A1 (0.63) CYP19A1MAOBMAOASIGMAR1TAAR1
SCHEMBL9798986 0.84 MAOB (0.83) CYP19A1MAOBMAOASIGMAR1IGF1R
SCHEMBL7901166 0.83 CYP19A1 (0.61) CYP19A1MAOBMAOASIGMAR1TAAR1
SCHEMBL18045550 0.82 MAOB (0.71) CYP19A1MAOBMAOASIGMAR1NOS1
SCHEMBL3482674 0.82 CYP19A1 (0.91) CYP19A1MAOBMAOASIGMAR1
SCHEMBL29436975 0.82 MAOB (0.71) CYP19A1MAOBMAOASIGMAR1NOS1

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 5 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
US-4405358-A Aralkylaniline derivatives, and herbicides which contain these compounds BASF AKTIENGESELLSCHAFT (DE) 1983-09-20 US disclosed
EP-0041613-A1 Derivatives of aralkylaniline and herbicides containing these compounds BASF Aktiengesellschaft (DE) 1981-12-16 EP disclosed