SCHEMBL9797340

SCHEMBL9797340

CN1CCc2ccccc2C(Oc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
DRD1 P21728 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
DRD2 P14416 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
TP53 P04637 1/20 0.38
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MCHR1 Q99705 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
LTA4H P09960 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL10954592 0.88 SLC6A4 (0.41) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL9797496 0.87 SLC6A2 (0.45) HDAC1HDAC8SLC6A2SLC6A4DRD1
Hydrochloric Acid SCHEMBL9797168 0.86 SLC6A2 (0.44) HDAC1HDAC8SLC6A2SLC6A4DRD1
SCHEMBL10416077 0.85 CYP3A4 (0.51) DRD1KMT2AMCHR1
Hydrochloric Acid SCHEMBL9806168 0.84 CYP3A4 (0.50) DRD1KMT2AMCHR1
SCHEMBL9797358 0.84 PRMT5 (0.42) HDAC1HDAC8SLC6A2SLC6A4SLC6A3
SCHEMBL9797639 0.82 SIGMAR1 (0.46) SLC6A2SLC6A3DRD1DRD2SIGMAR1
SCHEMBL9797486 0.82 MEN1 (0.42) DRD1MEN1KMT2ADRD2SIGMAR1
SCHEMBL10803907 0.81 KMT2A (0.43) HDAC1HDAC8DRD1MEN1KMT2A
Hydrochloric Acid SCHEMBL9797661 0.81 SIGMAR1 (0.47) DRD1DRD2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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