SCHEMBL11447801

SCHEMBL11447801

COC(OC)C(Cl)N(Cc1cccc(Cl)c1)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ SLC2A1 P11166 1/20 0.42
▸ PYCR1 P32322 1/20 0.42
▸ MAOB P27338 4/20 0.41
▸ MAOA P21397 3/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ AOC3 Q16853 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ TAS2R14 Q9NYV8 1/20 0.39
▸ HCAR2 Q8TDS4 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9209224 0.77 TSHR (0.55) RIPK1TSHRRECQLSLC2A1PYCR1
SCHEMBL9214534 0.77 TSHR (0.55) RIPK1TSHRRECQLSLC2A1PYCR1
SCHEMBL9824208 0.75 RIPK1 (0.64) RIPK1TSHRRECQLSLC2A1PYCR1
SCHEMBL1041082 0.69 PNMT (0.56) RIPK1TSHRRECQLSLC2A1MAOB
SCHEMBL14540715 0.69 RIPK1 (0.59) RIPK1TSHRRECQLSLC2A1PYCR1
SCHEMBL25711795 0.69 RIPK1 (0.59) RIPK1TSHRRECQLPYCR1ALOX5
SCHEMBL30798978 0.68 TAAR1 (0.66) RIPK1TSHRRECQLPYCR1ALDH1A1
SCHEMBL8290710 0.68 TAAR1 (0.66) RIPK1TSHRRECQLPYCR1ALDH1A1
SCHEMBL29565507 0.67 RIPK1 (0.65) RIPK1TSHRRECQLPYCR1ALOX5
SCHEMBL17278345 0.67 RIPK1 (0.61) RIPK1TSHRRECQLPYCR1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4200754-A Method for preparing 7,8-dichloro-1,2,3,4-tetrahydroisoquinoline SMITHKLINE CORPORATION (US) 1980-04-29 — — US claimed
US-4200754-A Method for preparing 7,8-dichloro-1,2,3,4-tetrahydroisoquinoline SMITHKLINE CORPORATION (US) 1980-04-29 — — US disclosed
US-4200754-A Method for preparing 7,8-dichloro-1,2,3,4-tetrahydroisoquinoline SMITHKLINE CORPORATION (US) 1980-04-29 — — US disclosed
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