SCHEMBL7517830

SCHEMBL7517830

BrCCOc1ccc2c(c1)[nH]c1ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.54
CTSV O60911 2/20 0.54
CTSL P07711 2/20 0.54
AHR P35869 1/20 0.48
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
THRB P10828 1/20 0.45
HTT P42858 1/20 0.45
GPR3 P46089 1/20 0.45
GABRA1 P14867 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 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
SCHEMBL4628130 0.90 ALDH1A1 (0.58) KIF11CTSVCTSLAHRMAPT
SCHEMBL9625788 0.87 KIF11 (0.57) KIF11CTSVCTSLAHRMAPT
SCHEMBL13394717 0.87 KIF11 (0.57) KIF11CTSVCTSLAHRMAPT
SCHEMBL7251072 0.86 RHEB (0.47) KIF11CTSVCTSLMAPTNPC1
SCHEMBL7251869 0.85 MAOA (0.45) KIF11CTSVCTSLMAPTNPC1
SCHEMBL24227361 0.84 KIF11 (0.54) KIF11CTSVCTSLAHRMAPT
SCHEMBL1180599 0.84 KIF11 (0.58) KIF11CTSVCTSLAHRMAPT
SCHEMBL12722431 0.84 KIF11 (0.58) KIF11CTSVCTSLAHRMAPT
SCHEMBL7108868 0.84 KIF11 (0.54) KIF11CTSVCTSLAHRMAPT
SCHEMBL7251253 0.84 DYRK1A (0.49) MAPTSMN1; SMN2ALDH1A1HSD17B10KDM4E

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-6495701-B1 THE PRESENT INVENTION IS DIRECTED TO PROCESSES FOR THE PREPARATION OF A COMPOUND USEFUL FOR TREATING DIABETES, OBESITY, HYPERLIPIDEMIA AND THE LIKE, ASAHI KASEI KABUSHIKI KAISHA (JP) 2002-12-17 US disclosed
EP-1195371-A1 PROCESS FOR THE PREPARATION OF TRICYCLIC AMINO ALCOHOL DERIVATIVES Asahi Kasei Kabushiki Kaisha (JP) 2002-04-10 EP disclosed
EP-1174425-A1 NOVEL METHOD FOR MANUFACTURING TRICYCLIC AMINO ALCOHOL DERIVATIVES Asahi Kasei Kabushiki Kaisha (JP) 2002-01-23 EP disclosed
EP-1174426-A1 METHOD FOR THE PREPARATION OF TRICYCLIC AMINO ALCOHOL DERIVATIVES THROUGH AZIDES Asahi Kasei Kabushiki Kaisha (JP) 2002-01-23 EP disclosed