SCHEMBL9797229

SCHEMBL9797229

NCCN1CCc2ccccc2C(Oc2cccc(Cl)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
GRIN1 Q05586 4/20 0.39
GRIN2B Q13224 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH3 Q9Y5N1 3/20 0.38
SIGMAR1 Q99720 3/20 0.37

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
SCHEMBL9797369 0.89 SIGMAR1 (0.46) LMNAMAPK1HTTSMN1; SMN2PRMT5
SCHEMBL9797767 0.87 SIGMAR1 (0.48) GRIN1GRIN2BSIGMAR1
SCHEMBL9797472 0.84 SIGMAR1 (0.47) LMNAMAPK1HTTSMN1; SMN2PRMT5
SCHEMBL9797514 0.84 HRH3 (0.42) LMNAMAPK1SMN1; SMN2GRIN1GRIN2B
SCHEMBL9797358 0.84 PRMT5 (0.42) LMNAHTTPRMT5WDR77MEN1
SCHEMBL9797302 0.83 GAA (0.42) LMNAMAPK1HTTSMN1; SMN2PRMT5
Oxalic Acid SCHEMBL9797491 0.83 OPRM1 (0.48) GRIN1GRIN2BMEN1KMT2AHRH3
SCHEMBL9797486 0.82 MEN1 (0.42) MEN1KMT2ASIGMAR1
SCHEMBL9154713 0.82 SLC6A4 (0.38) LMNAMAPK1HTTSMN1; SMN2PRMT5
Oxalic Acid SCHEMBL9797281 0.79 KDM2B (0.46) HRH3SIGMAR1

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-4988690-A Antidepressants HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-01-29 US claimed
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