SCHEMBL9797348

SCHEMBL9797348

NCCCN1CCc2ccccc2C(Oc2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
S1PR5 Q9H228 1/20 0.39
SLC7A5 Q01650 4/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
TRPM8 Q7Z2W7 2/20 0.38
OPRD1 P41143 1/20 0.38
ESR1 P03372 2/20 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
SCHEMBL9797190 0.94 SLC6A2 (0.41) GRIN1GRIN2BSIGMAR1SLC6A2SLC6A4
SCHEMBL9797531 0.87 SIGMAR1 (0.44) SIGMAR1SLC6A2SLC6A4HDAC3HDAC1
SCHEMBL9797624 0.87 SLC6A4 (0.47) GRIN1GRIN2BSIGMAR1SLC6A2SLC6A4
Bromide SCHEMBL9797428 0.86 SIGMAR1 (0.43) SIGMAR1SLC6A2SLC6A4HDAC3HDAC1
Hydrochloric Acid SCHEMBL9797883 0.86 SLC6A4 (0.46) GRIN1GRIN2BSIGMAR1SLC6A2SLC6A4
SCHEMBL9797266 0.85 SIGMAR1 (0.47) GRIN1GRIN2BSIGMAR1
SCHEMBL9797294 0.84 SLC6A2 (0.39) SLC6A2SLC6A4HDAC3HDAC1HDAC8
SCHEMBL9797467 0.84 SLC6A2 (0.48) SIGMAR1SLC6A2SLC6A4HDAC3HDAC1
SCHEMBL9797496 0.83 SLC6A2 (0.45) SIGMAR1SLC6A2SLC6A4HDAC3HDAC1
SCHEMBL9797184 0.83 SIGMAR1 (0.45) SIGMAR1SLC6A2SLC6A4HDAC3HDAC1

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 8 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
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 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