SCHEMBL9799795

SCHEMBL9799795

CCc1ccc(CCCc2cccc(N)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.63
MAOB P27338 5/20 0.60
MAOA P21397 3/20 0.60
SIGMAR1 Q99720 2/20 0.50
TAAR1 Q96RJ0 1/20 0.45
HTR2A P28223 1/20 0.42
TP53 P04637 1/20 0.41
SKP2 Q13309 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
SCHEMBL22035231 0.87 CYP19A1 (0.67) CYP19A1MAOBMAOASIGMAR1TAAR1
SCHEMBL841378 0.86 CYP19A1 (0.84) CYP19A1MAOBMAOASIGMAR1HTR2A
SCHEMBL1026806 0.86 MAOB (0.71) CYP19A1MAOBMAOASIGMAR1HTR2A
SCHEMBL29437072 0.86 MAOB (0.71) CYP19A1MAOBMAOASIGMAR1HTR2A
SCHEMBL9799262 0.85 CYP19A1 (0.63) CYP19A1MAOBMAOASIGMAR1TAAR1
SCHEMBL9798986 0.84 MAOB (0.83) CYP19A1MAOBMAOASIGMAR1HTR2A
SCHEMBL957394 0.82 MAOA (0.61) CYP19A1MAOBMAOASIGMAR1SKP2
SCHEMBL3038687 0.82 MAOA (0.61) CYP19A1MAOBMAOASIGMAR1SKP2
SCHEMBL3482674 0.82 CYP19A1 (0.91) CYP19A1MAOBMAOASIGMAR1
SCHEMBL33276 0.82

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