SCHEMBL9799248

SCHEMBL9799248

Nc1cccc(CCCc2ccc(Cl)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

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
GPR84 Q9NQS5 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TAAR1 Q96RJ0 2/20 0.45
HTR2A P28223 1/20 0.42
HTR3E A5X5Y0 2/20 0.42
HTR3B O95264 2/20 0.42
HTR3A P46098 2/20 0.42
HTR3D Q70Z44 2/20 0.42
HTR3C Q8WXA8 2/20 0.42
HTR2B P41595 1/20 0.40

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
SCHEMBL9799333 0.87 TAAR1 (0.60) CYP19A1MAOBMAOASIGMAR1ALDH1A1
SCHEMBL841378 0.86 CYP19A1 (0.84) CYP19A1MAOBMAOASIGMAR1HTR2A
SCHEMBL1026806 0.86 MAOB (0.71) CYP19A1MAOBMAOASIGMAR1ALDH1A1
SCHEMBL29437072 0.86 MAOB (0.71) CYP19A1MAOBMAOASIGMAR1ALDH1A1
SCHEMBL9798986 0.84 MAOB (0.83) CYP19A1MAOBMAOASIGMAR1IGF1R
SCHEMBL9799134 0.84 CYP19A1 (0.56) CYP19A1MAOBMAOASIGMAR1IGF1R
SCHEMBL29436975 0.82 MAOB (0.71) CYP19A1MAOBMAOASIGMAR1
SCHEMBL3482674 0.82 CYP19A1 (0.91) CYP19A1MAOBMAOASIGMAR1
SCHEMBL18045550 0.82 MAOB (0.71) CYP19A1MAOBMAOASIGMAR1
SCHEMBL9799795 0.81 CYP19A1 (0.63) CYP19A1MAOBMAOASIGMAR1TAAR1

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 6 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
EP-0041145-A2 Aralkyl-phenyl ureas and their herbicidal compositions BASF Aktiengesellschaft (DE) 1981-12-09 EP disclosed