SCHEMBL8946101

SCHEMBL8946101

Cc1ccc2c(ccn2N(CCO)c2ccncc2F)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.42
SLC6A2 P23975 9/20 0.40
RPS6KA3 P51812 1/20 0.34
MAPT P10636 1/20 0.34
FLT1 P17948 1/20 0.34
KDR P35968 1/20 0.34
SLC6A4 P31645 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ROCK1 Q13464 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL8946215 0.86 SLC6A2 (0.56) BCHESLC6A2RPS6KA3MAPTCYP11B1
SCHEMBL8946156 0.84 SLC6A2 (0.49) BCHESLC6A2MAPT
SCHEMBL8546204 0.80 SLC6A2 (0.50) BCHESLC6A2MAPT
SCHEMBL8946196 0.80 SLC6A2 (0.42) BCHESLC6A2MAPTROCK1
Hydrochloric Acid SCHEMBL8539619 0.79 SLC6A2 (0.49) BCHESLC6A2MAPT
SCHEMBL8539188 0.75 BCHE (0.55) BCHESLC6A2
SCHEMBL7611649 0.74 SLC6A2 (0.65) BCHESLC6A2
Hydrochloric Acid SCHEMBL3977692 0.74 SLC6A2 (0.64) BCHESLC6A2
SCHEMBL8544197 0.73 BCHE (0.49) BCHESLC6A2CYP11B1CYP11B2
SCHEMBL8544200 0.72 BCHE (0.53) BCHESLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0509400-B1 1-(Pyrido[3,4-b]-1,4-oxazinyl-4-yl)-1H-indoles, intermediates and a process for their preparation, and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1996-07-03 EP disclosed
US-5519131-A CYCLIZATION OF HYDROXYALKYLAMINO COMPOUND IN THE PRESENCE OF STRONG BASE SUCH AS SODIUM HYDRIDE OR POTASSIUM TERT-BUTOXIDE HOECHST MARION ROUSSEL INC. (US) 1996-05-21 US disclosed
US-5276156-A Antidepressants, treatment of Alzheimer*s disease HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-01-04 US disclosed
US-5214038-A Cholinesterase inhibitors, antidepressants, cognition activators HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-05-25 US disclosed
EP-0509400-A1 1-(Pyrido[3,4-b]-1,4-oxazinyl-4-yl)-1H-indoles, intermediates and a process for their preparation, and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-10-21 EP disclosed