SCHEMBL6177869

SCHEMBL6177869

CC1CNCCN1c1nccnc1Cl

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 14/20 0.44
▸ HTR2C P28335 14/20 0.44
▸ HTR2B P41595 13/20 0.44
▸ GSK3B P49841 4/20 0.39
▸ LATS1 O95835 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
SCHEMBL239258 1.00 HTR2A (0.44) HTR2AHTR2CHTR2BGSK3BLATS1
Hydrochloric Acid SCHEMBL5733483 0.98 HTR2A (0.43) HTR2AHTR2CHTR2BGSK3BLATS1
Tert-Butyl Formate SCHEMBL27606399 0.85 GSK3B (0.38) HTR2AHTR2CHTR2BGSK3B
SCHEMBL6200965 0.81 HTR2C (0.41) HTR2AHTR2CHTR2B
SCHEMBL13931360 0.81 HTR2C (0.53) HTR2AHTR2CHTR2B
SCHEMBL4308092 0.77 HTR2A (0.43) HTR2AHTR2CHTR2B
SCHEMBL4308089 0.77 HTR2A (0.43) HTR2AHTR2CHTR2B
SCHEMBL4308087 0.77 HTR2C (0.45) HTR2AHTR2CHTR2B
SCHEMBL2639565 0.77 HTR2C (0.45) HTR2AHTR2CHTR2B
SCHEMBL6219727 0.75 HTR2A (0.53) HTR2AHTR2CHTR2BGSK3B

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
EP-1529043-A1 NOVEL PROCESS Biovitrum AB (SE) 2005-05-11 — — EP claimed
WO-2004000829-A1 NOVEL PROCESS BIOVITRUM AB (SE) 2003-12-31 — — WO claimed
CN-100334082-C Process for preparing 2-methylpiperazine derivatives BIOVITRUM AB (SE) 2007-08-29 — — CN disclosed
CN-100999501-A Process for the preparation of 2-methyl piperazine derivatives BIOVITRUM AB (SE) 2007-07-18 — — CN disclosed
CN-1662523-A Novel process BIOVITRUM AB (SE) 2005-08-31 — — CN disclosed
EP-1529043-A1 NOVEL PROCESS Biovitrum AB (SE) 2005-05-11 — — EP disclosed
WO-2004000829-A1 NOVEL PROCESS BIOVITRUM AB (SE) 2003-12-31 — — WO disclosed
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