SCHEMBL7479507

SCHEMBL7479507

CN1CCC(c2cn(C(=O)c3ccccc3)c3ccc(Cl)cc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.44
KMT2A Q03164 4/20 0.43
HTR6 P50406 2/20 0.43
RORC P51449 1/20 0.42
MEN1 O00255 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
PTGS2 P35354 1/20 0.41
POLB P06746 1/20 0.41
ALOX5 P09917 1/20 0.41
AKR1C4 P17516 1/20 0.39
PTGS1 P23219 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 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
SCHEMBL7491819 0.91 HTR6 (0.43) KMT2AHTR6MEN1PTGS2
SCHEMBL7480609 0.89 KCNH2 (0.47) KCNH2HTR6AKR1C3AKR1C2
SCHEMBL7482377 0.87 HTR6 (0.48) KMT2AHTR6RORCMEN1AKR1C3
SCHEMBL7491511 0.86 HTR6 (0.53) KMT2AHTR6MEN1PTGS2ALOX5
SCHEMBL6965309 0.81 DYRK1A (0.45) HTR6RORCALOX5
SCHEMBL7480782 0.81 DRD2 (0.44) KMT2AMEN1AKR1C3AKR1C2
SCHEMBL7491627 0.80 DRD2 (0.50) KMT2AHTR6RORCAKR1C3AKR1C2
SCHEMBL6529706 0.79 HTR6 (0.51) KMT2AHTR6MEN1PTGS2POLB
SCHEMBL6529704 0.79 HTR6 (0.51) KMT2AHTR6MEN1PTGS2POLB
SCHEMBL6532387 0.79 HTR6 (0.51) KMT2AHTR6MEN1PTGS2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1173432-A1 PIPERIDINE-INDOLE COMPOUNDS HAVING 5-HT6 AFFINITY NPS Allelix Corp. (CA) 2002-01-23 EP claimed
WO-2000063203-A1 PIPERIDINE-INDOLE COMPOUNDS HAVING 5-HT6 AFFINITY ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-10-26 WO claimed
EP-1173432-A1 PIPERIDINE-INDOLE COMPOUNDS HAVING 5-HT6 AFFINITY NPS Allelix Corp. (CA) 2002-01-23 EP disclosed
WO-2000063203-A1 PIPERIDINE-INDOLE COMPOUNDS HAVING 5-HT6 AFFINITY ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-10-26 WO disclosed
US-6133287-A SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS; CENTRAL NERVOUS SYSTEM DISORDERS, E.G., PSYCHOSIS, SCHIZOPHRENIA, MANIC DEPRESSION, DEPRESSION, MEMORY DISTURBANCES, PARKINSONISM, AMYLOTROPHIC LATERAL SCLEROSIS, ALZHEIMER'S AND HUNTINGTON'S DISEASE ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-10-17 US disclosed