SCHEMBL11169221

SCHEMBL11169221

COc1cc2c(c(Sc3ccccc3)c1OC)CCN(CCO)CC2

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CA9 Q16790 2/20 0.37
▸ CA2 P00918 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ SIGMAR1 Q99720 1/20 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
SCHEMBL11214359 0.88 KCNH2 (0.46) SIGMAR1
SCHEMBL11160967 0.87 DRD1 (0.47) LMNAPOLBTDP1DRD4
SCHEMBL11215748 0.84 CYP2D6 (0.41) MEN1KMT2APOLBSIGMAR1
Fumaric Acid SCHEMBL11169280 0.82 MEN1 (0.43) MEN1KMT2ALMNAPOLBTDP1
Fumaric Acid SCHEMBL11169294 0.82 MEN1 (0.43) MEN1KMT2ALMNAPOLBTDP1
SCHEMBL11167197 0.80 ALDH1A1 (0.45) MEN1KMT2APOLB
SCHEMBL11214362 0.79 LMNA (0.40) MEN1KMT2ALMNAPOLBTDP1
SCHEMBL11171000 0.78 DRD1 (0.38) MEN1KMT2ALMNAPOLBTDP1
SCHEMBL11160646 0.78 GAA (0.47) MEN1KMT2A
Bromide SCHEMBL11156560 0.77 MEN1 (0.42) MEN1KMT2ALMNADRD4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0080012-A1 6-Chloro-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine, its acid addition salts and its use as an intermediate SMITHKLINE BECKMAN CORPORATION (US) 1983-06-01 — — EP disclosed
EP-0007070-B1 2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINES, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS HAVING DOPAMINE RECEPTOR BLOCKING ACTIVITY SMITHKLINE BECKMAN CORPORATION (US) 1983-01-19 — — EP disclosed
US-4265890-A ANTIPSYCHOTIC, ANTIEMETICS SMITHKLINE CORPORATION (US) 1981-05-05 — — US disclosed
EP-0007070-A1 2,3,4,5-Tetrahydro-1H-3-Benzazepines, process for their production and pharmaceutical compositions having dopamine receptor blocking activity SMITHKLINE BECKMAN CORPORATION (US) 1980-01-23 — — EP disclosed
Send feedback