SCHEMBL9797199

SCHEMBL9797199

COc1cc2c(cc1OC)C(Oc1ccc(C(F)(F)F)cc1)CN(CC#N)CC2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MCHR1 Q99705 4/20 0.43
MTNR1B P49286 2/20 0.42
GRIN2C Q14957 1/20 0.41
MEN1 O00255 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SLC18A2 Q05940 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 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
SCHEMBL9797246 0.88 KMT2A (0.49) KMT2AMCHR1MTNR1BGRIN2CMEN1
Hydrochloric Acid SCHEMBL9797418 0.87 KMT2A (0.48) KMT2AMCHR1MTNR1BGRIN2CMEN1
SCHEMBL9797462 0.85 KMT2A (0.47) KMT2AMCHR1MTNR1BGRIN2CMEN1
SCHEMBL9797258 0.83 SLC6A2 (0.40) KMT2AMEN1
SCHEMBL9797438 0.82 CYP3A4 (0.51) KMT2AMCHR1MTNR1BGRIN2CMEN1
SCHEMBL9154107 0.81 KMT2A (0.48) KMT2AMCHR1MTNR1BGRIN2CMEN1
Hydrochloric Acid SCHEMBL9797211 0.81 CYP3A4 (0.50) KMT2AMCHR1MTNR1BGRIN2CMEN1
SCHEMBL9797312 0.77 KMT2A (0.52) KMT2AMCHR1MTNR1BGRIN2CMEN1
SCHEMBL10416080 0.76 KMT2A (0.52) KMT2AMEN1
SCHEMBL11161276 0.75 SLC6A4 (0.43) KMT2AMCHR1

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