SCHEMBL9797358

SCHEMBL9797358

NCCN1CCc2ccccc2C(Oc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 5/20 0.42
WDR77 Q9BQA1 5/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
DRD2 P14416 1/20 0.39
LTA4H P09960 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MCHR1 Q99705 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SCN1A P35498 1/20 0.36

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
SCHEMBL9797190 0.88 SLC6A2 (0.41) PRMT5WDR77HDAC1HDAC8SLC6A2
SCHEMBL10803907 0.87 KMT2A (0.43) PRMT5WDR77HDAC1HDAC8DRD2
SCHEMBL9797641 0.84 MEN1 (0.44) PRMT5WDR77HDAC1HDAC8DRD2
SCHEMBL9797229 0.84 LMNA (0.40) PRMT5WDR77HRH3KMT2AMEN1
SCHEMBL9797340 0.84 HDAC1 (0.41) PRMT5WDR77HDAC1HDAC8DRD2
SCHEMBL9797348 0.82 GRIN1 (0.40) HDAC1HDAC8SLC6A2SLC6A4
SCHEMBL9797531 0.78 SIGMAR1 (0.44) HDAC1HDAC8DRD2SLC6A2SLC6A4
SCHEMBL10954592 0.77 SLC6A4 (0.41) DRD2HRH3KMT2AMEN1ALDH1A1
Bromide SCHEMBL9797428 0.77 SIGMAR1 (0.43) HDAC1HDAC8DRD2SLC6A2SLC6A4
SCHEMBL9797266 0.76 SIGMAR1 (0.47) DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4988690-A Antidepressants HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-01-29 US claimed
US-5059688-A 1-aryloxy-2,3,4,5-tetrahydro-3-benzazepine preparation HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
US-4988690-A Antidepressants HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-01-29 US disclosed
US-4935418-A Medical compositions of 1-aryloxy-2,3,4,5-tetrahydro-3-benzazepines and use thereof HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-06-19 US disclosed
US-4794181-A ANTIDEPRESSANTS, ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1988-12-27 US disclosed
EP-0096838-B1 1-ARYLOXY-2,3,4,5-TETRAHYDRO-3-BENZAZEPINES, A PROCESS FOR PREPARING THE SAME AND THEIR USE AS MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1987-04-01 EP disclosed
EP-0096838-A1 1-Aryloxy-2,3,4,5-tetrahydro-3-benzazepines, a process for preparing the same and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1983-12-28 EP disclosed