SCHEMBL5790976

SCHEMBL5790976

NCCc1ccc(F)cc1.NCCc1cccc(F)c1.NCCc1ccccc1F

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.67
MAOB P27338 9/20 0.58
HTR2A P28223 2/20 0.44
CYP2A6 P11509 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
IDO1 P14902 2/20 0.44
AGXT P21549 2/20 0.44

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
SCHEMBL7486349 0.84 TAAR1 (0.81) TAAR1MAOBLOXL2IDO1AGXT
SCHEMBL29429505 0.82 TAAR1 (1.00) TAAR1MAOBHTR2ACYP2A6SMN1; SMN2
SCHEMBL146545 0.82 TAAR1 (1.00) TAAR1MAOBHTR2ACYP2A6SMN1; SMN2
Bromide SCHEMBL28591635 0.80 TAAR1 (0.96) TAAR1MAOBHTR2ACYP2A6SMN1; SMN2
Bromide SCHEMBL30599495 0.80 TAAR1 (0.96) TAAR1MAOBHTR2ACYP2A6SMN1; SMN2
Iodide SCHEMBL30472769 0.80 TAAR1 (0.96) TAAR1MAOBHTR2ACYP2A6SMN1; SMN2
Hydrochloric Acid SCHEMBL5728333 0.80 TAAR1 (0.96) TAAR1MAOBHTR2ACYP2A6SMN1; SMN2
Iodide SCHEMBL29040442 0.80 TAAR1 (0.96) TAAR1MAOBHTR2ACYP2A6SMN1; SMN2
SCHEMBL14415631 0.78 TAAR1 (0.65) TAAR1MAOBHTR2AIDO1AGXT
SCHEMBL8107779 0.77 TAAR1 (0.69) TAAR1MAOBHTR2ACYP2A6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006004171-A1 PHOTOSENSITIVE FILM, PROCESS FOR PRODUCING THE SAME, PROCESS FOR FORMING PERMANENT PATTERN FUJI PHOTO FILM CO., LTD. (JP) 2006-01-12 WO disclosed