SCHEMBL6200965

SCHEMBL6200965

CCC1CNCCN1c1nccnc1Cl

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 18/20 0.41
▸ HTR2A P28223 17/20 0.41
▸ HTR2B P41595 17/20 0.41
▸ ROCK2 O75116 2/20 0.40
▸ ROCK1 Q13464 1/20 0.40

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
SCHEMBL6177869 0.81 HTR2A (0.44) HTR2CHTR2AHTR2B
SCHEMBL239258 0.81 HTR2A (0.44) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL5733483 0.79 HTR2A (0.43) HTR2CHTR2AHTR2B
SCHEMBL6046297 0.72 SGPL1 (0.39) —
SCHEMBL5631902 0.72 SLC6A2 (0.50) HTR2CHTR2AHTR2BROCK2ROCK1
SCHEMBL5632800 0.72 SLC6A2 (0.50) HTR2CHTR2AHTR2BROCK2ROCK1
SCHEMBL29221981 0.72 SLC6A2 (0.50) HTR2CHTR2AHTR2BROCK2
SCHEMBL5631907 0.72 SLC6A2 (0.50) HTR2CHTR2AHTR2BROCK2ROCK1
SCHEMBL20129704 0.71 PLD1 (0.50) HTR2CHTR2AHTR2BROCK2ROCK1
Hydrochloric Acid SCHEMBL5632185 0.71 SLC6A2 (0.49) HTR2CHTR2AHTR2BROCK2ROCK1

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-1178973-B1 PYRAZINYL-PIPERAZINE- COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2005-12-21 — — EP disclosed
US-6465467-B1 DISEASES RELATED TO THE 5-HT2C RECEPTOR, ESPECIALLY EATING, MEMORY, MOOD, URINARY AND ANXIETY DISORDERS, SCHIZOPHRENIA, PAIN, SEXUAL DYSFUNCTIONS BIOVITRUM AB (SE) 2002-10-15 — — US disclosed
EP-1178973-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Pharmacia AB (SE) 2002-02-13 — — EP disclosed
WO-2000076984-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2000-12-21 — — WO disclosed
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