SCHEMBL6676385

SCHEMBL6676385

Cl[Ti](Cl)N(Cc1c(-c2cccc3c2Cc2ccccc2-3)ccc2ccccc12)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.35
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
HTR7 P34969 3/20 0.31
HTR1A P08908 2/20 0.31
KMT2A Q03164 1/20 0.31
BACE1 P56817 1/20 0.30

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
SCHEMBL3738280 0.84 PNMT (0.32) PNMTACHEHTR7HTR1A
SCHEMBL3742379 0.82 PNMT (0.37) PNMTBCHEACHEHTR7HTR1A
Hydrochloric Acid SCHEMBL6676382 0.81 PNMT (0.36) PNMTBCHEACHEHTR7HTR1A
SCHEMBL3750229 0.81 PNMT (0.36) PNMTBCHEACHEHTR7HTR1A
SCHEMBL3743484 0.79 PNMT (0.47) PNMTBCHEACHEHTR7
SCHEMBL3680491 0.78 NPC1 (0.36) PNMTHTR7HTR1AKMT2A
SCHEMBL3672084 0.75 PNMT (0.43) PNMTBCHEACHEHTR7HTR1A
SCHEMBL3261604 0.74 KMT2A (0.33) KMT2A
Hydrochloric Acid SCHEMBL3750227 0.74 PNMT (0.35) PNMTACHEHTR7HTR1AKMT2A
SCHEMBL3679016 0.72 ALDH1A1 (0.39) PNMTBCHEACHEKMT2ABACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242410-A1 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-02 US disclosed
EP-1426379-A1 TRANSITION METAL COMPLEX,CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2004-06-09 EP disclosed