SCHEMBL9799321

SCHEMBL9799321

Nc1ccc(CCCc2cccc(F)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.63
CYP19A1 P11511 1/20 0.58
MAOB P27338 8/20 0.57
MAOA P21397 2/20 0.50
DRD2 P14416 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
IDO1 P14902 1/20 0.47
AGXT P21549 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
SCHEMBL3368902 0.92 TAAR1 (0.68) TAAR1CYP19A1MAOBMAOAIDO1
SCHEMBL2913956 0.86 CYP19A1 (0.69) CYP19A1MAOBMAOA
SCHEMBL841378 0.82 CYP19A1 (0.84) CYP19A1MAOBMAOA
SCHEMBL2306476 0.81 TAAR1 (0.53) TAAR1MAOBDRD2SLC6A4SLC6A3
SCHEMBL11127464 0.81 CYP19A1 (0.63) TAAR1CYP19A1MAOBMAOA
SCHEMBL29442846 0.81 MAOB (0.59) TAAR1CYP19A1MAOBIDO1AGXT
SCHEMBL21384149 0.81 MAOB (0.59) TAAR1CYP19A1MAOBIDO1AGXT
SCHEMBL28812860 0.79 TAAR1 (0.70) TAAR1CYP19A1MAOBDRD2SLC6A4
SCHEMBL1317595 0.79 TAAR1 (0.77) TAAR1MAOBMAOADRD2SLC6A4
SCHEMBL146545 0.78 TAAR1 (1.00) TAAR1MAOBDRD2SLC6A3IDO1

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