SCHEMBL7767744

SCHEMBL7767744

C=CCCNCC1CC1COc1ccc(C(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LSS P48449 12/20 0.59
MAPT P10636 3/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MAOB P27338 1/20 0.36
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL7687793 0.83 LSS (0.61) LSSMAPTRAB9ALMNAMEN1
Hydrochloric Acid SCHEMBL7687465 0.82 LSS (0.60) LSSMAPTRAB9ALMNAMEN1
Fumaric Acid SCHEMBL7687488 0.80 LSS (0.56) LSSLMNAALDH1A1FFAR4
SCHEMBL7681502 0.76 LSS (0.74) LSSMEN1KMT2A
SCHEMBL8035143 0.76 LSS (0.60) LSSMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL8035630 0.75 LSS (0.60) LSSMAPTRAB9ALMNAMEN1
SCHEMBL17358772 0.74 LSS (1.00) LSS
SCHEMBL7687943 0.74 LSS (1.00) LSS
Hydrochloric Acid SCHEMBL7681382 0.74 LSS (0.98) LSS
SCHEMBL7688273 0.71 LSS (0.67) LSSMEN1KMT2AFFAR4

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
EP-0778264-B1 Tertiary amines having antimycotic and cholesterol lowering activity HOFFMANN LA ROCHE (CH) 2001-07-11 EP claimed