SCHEMBL9797486

SCHEMBL9797486

CN1CCc2ccccc2C(Oc2cccc(Cl)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
DRD1 P21728 8/20 0.41
HTR2A P28223 1/20 0.41
DRD5 P21918 4/20 0.40
SIGMAR1 Q99720 4/20 0.39
CYP2D6 P10635 3/20 0.39
TSHR P16473 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CYP1A2 P05177 2/20 0.39
DRD2 P14416 2/20 0.39
NFKB1 P19838 2/20 0.39
THPO P40225 2/20 0.39
ALOX15 P16050 2/20 0.39
CYP3A4 P08684 1/20 0.39
HIF1A Q16665 1/20 0.38

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
SCHEMBL9797504 0.86 SLC6A2 (0.46) MEN1KMT2ADRD1DRD5SIGMAR1
SCHEMBL9797639 0.85 SIGMAR1 (0.46) DRD1HTR2ADRD5SIGMAR1CYP2D6
SCHEMBL9154713 0.85 SLC6A4 (0.38) DRD1SIGMAR1
SCHEMBL9797369 0.85 SIGMAR1 (0.46) MEN1KMT2ASIGMAR1
SCHEMBL9154863 0.84 FADS1 (0.38) MEN1KMT2ADRD1
SCHEMBL10416687 0.84 CYP3A4 (0.54) DRD1DRD5CYP2D6CYP3A4
Hydrochloric Acid SCHEMBL9797661 0.84 SIGMAR1 (0.47) DRD1HTR2ADRD5SIGMAR1CYP2D6
SCHEMBL9797472 0.82 SIGMAR1 (0.47) SIGMAR1CYP2D6
SCHEMBL9797229 0.82 LMNA (0.40) MEN1KMT2ASIGMAR1
SCHEMBL9797340 0.82 HDAC1 (0.41) MEN1KMT2ADRD1SIGMAR1DRD2

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