SCHEMBL9797641

SCHEMBL9797641

N#CCN1CCc2ccccc2C(Oc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PRMT5 O14744 6/20 0.41
WDR77 Q9BQA1 6/20 0.41
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
MCHR1 Q99705 1/20 0.36
DRD2 P14416 3/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SCN1A P35498 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
LTA4H P09960 1/20 0.35
DRD3 P35462 2/20 0.35
KCNH2 Q12809 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
TRPM8 Q7Z2W7 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
SCHEMBL10803907 0.90 KMT2A (0.43) MEN1KMT2ANPSR1PRMT5WDR77
SCHEMBL9797258 0.89 SLC6A2 (0.40) MEN1KMT2ANPSR1PRMT5WDR77
SCHEMBL9797358 0.84 PRMT5 (0.42) MEN1KMT2ANPSR1PRMT5WDR77
SCHEMBL9797302 0.84 GAA (0.42) MEN1KMT2APRMT5WDR77
SCHEMBL9797340 0.81 HDAC1 (0.41) MEN1KMT2ANPSR1PRMT5WDR77
SCHEMBL9797294 0.78 SLC6A2 (0.39) MEN1KMT2ANPSR1PRMT5WDR77
SCHEMBL9797199 0.75 KMT2A (0.46) MEN1KMT2AMCHR1
SCHEMBL10954592 0.74 SLC6A4 (0.41) MEN1KMT2ADRD2SLC6A2SLC6A4
SCHEMBL9797531 0.72 SIGMAR1 (0.44) HDAC1HDAC8DRD2SLC6A2SLC6A4
SCHEMBL9797184 0.72 SIGMAR1 (0.45) PRMT5WDR77HDAC1HDAC8DRD2

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