SCHEMBL10345872

SCHEMBL10345872

NC(CCCCc1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.52
MAOB P27338 2/20 0.50
S1PR2 O95136 1/20 0.49
S1PR4 O95977 1/20 0.49
S1PR1 P21453 1/20 0.49
S1PR3 Q99500 1/20 0.49
KCNH2 Q12809 1/20 0.49
SIGMAR1 Q99720 1/20 0.47
CYP19A1 P11511 1/20 0.46
HTR2A P28223 1/20 0.45

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
SCHEMBL7022054 1.00 MAOA (0.52) MAOAMAOBS1PR2S1PR4S1PR1
SCHEMBL7451119 0.98 S1PR2 (0.51) MAOAMAOBS1PR2S1PR4S1PR1
SCHEMBL8631288 0.94 KCNH2 (0.50) MAOAMAOBKCNH2HTR2A
SCHEMBL456615 0.88 TDP1 (0.46) MAOAMAOBS1PR2S1PR4S1PR1
SCHEMBL21098906 0.88 HTR2A (0.46) MAOBS1PR2S1PR4S1PR1S1PR3
SCHEMBL17373052 0.87 SCN4A (0.50) HTR2A
SCHEMBL5924988 0.85 ANPEP (0.50) KCNH2HTR2A
SCHEMBL8067078 0.85 ANPEP (0.50) KCNH2HTR2A
SCHEMBL855071 0.85 ANPEP (0.50) KCNH2HTR2A
Hydrochloric Acid SCHEMBL28350804 0.85 SCN4A (0.48) HTR2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0154980-B1 NEGATIVE WORKING LIGHT-SENSITIVE LITHOGRAPHIC PLATE REQUIRING NO DAMPENING SOLUTION AND PLATE MAKING PROCESS FUJI PHOTO FILM CO., LTD. (JP) 1990-05-30 EP disclosed
US-3943254-A ALPHA-AMINOMETHYL-4-HYDROXY-3-SULFAMYL BENZYL ALCOHOLS OR 4-HYDROXY-3-SULFAMYL-PHENETHYLAMINE SMITHKLINE CORPORATION (US) 1976-03-09 US disclosed