SCHEMBL9797258

SCHEMBL9797258

N#CCN1CCc2ccccc2C(Oc2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
TRPM8 Q7Z2W7 9/20 0.40
OPRD1 P41143 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL9797294 0.89 SLC6A2 (0.39) SLC6A2SLC6A4TRPM8OPRD1MEN1
SCHEMBL9797641 0.89 MEN1 (0.44) SLC6A2SLC6A4TRPM8MEN1KMT2A
SCHEMBL9797184 0.83 SIGMAR1 (0.45) SLC6A2SLC6A4TRPM8OPRD1HDAC3
SCHEMBL9797190 0.83 SLC6A2 (0.41) SLC6A2SLC6A4TRPM8OPRD1HDAC3
SCHEMBL9797531 0.83 SIGMAR1 (0.44) SLC6A2SLC6A4TRPM8OPRD1HDAC3
SCHEMBL9797199 0.83 KMT2A (0.46) MEN1KMT2A
Bromide SCHEMBL9797428 0.83 SIGMAR1 (0.43) SLC6A2SLC6A4TRPM8OPRD1HDAC3
Bromide SCHEMBL9797222 0.83 SIGMAR1 (0.44) SLC6A2SLC6A4TRPM8OPRD1HDAC3
SCHEMBL9797266 0.82 SIGMAR1 (0.47)
SCHEMBL9797348 0.82 GRIN1 (0.40) SLC6A2SLC6A4TRPM8OPRD1HDAC3

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 9 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
JP-58109580-A None JP disclosed
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
JP-S58109580-A COLOR LIQUID CRYSTAL DISPLAY ELEMENT ALPS ELECTRIC CO LTD 1983-06-29 JP disclosed