SCHEMBL9799345

SCHEMBL9799345

Cc1ccccc1CCCc1ccc(N)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.57
TAAR1 Q96RJ0 1/20 0.57
MAOA P21397 2/20 0.50
HTR2A P28223 1/20 0.47
GFER P55789 1/20 0.46
ALOX5 P09917 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
CYP19A1 P11511 1/20 0.40
LTA4H P09960 1/20 0.39

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
SCHEMBL10386192 0.89 TAAR1 (0.61) MAOBTAAR1MAOAGFERALOX5
Hydrochloric Acid SCHEMBL9828027 0.87 MAOB (0.61) MAOBTAAR1MAOAGFERALOX5
SCHEMBL27472295 0.85 TAAR1 (0.50) TAAR1HTR2A
SCHEMBL2353922 0.84 TAAR1 (0.54) TAAR1MAOAHTR2ASIGMAR1
SCHEMBL31500447 0.84 TAAR1 (0.54) TAAR1MAOAHTR2ASIGMAR1
SCHEMBL6546881 0.82 TAAR1 (0.65) TAAR1
SCHEMBL13276099 0.81 TAAR1 (0.47) TAAR1HTR2ASIGMAR1
SCHEMBL2844470 0.81 TAAR1 (0.47) TAAR1
SCHEMBL9798944 0.81 MAOB (0.55) MAOBTAAR1MAOASIGMAR1CYP19A1
SCHEMBL14820047 0.80 ALDH1A1 (0.54) MAOBTAAR1MAOAHTR2AGFER

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