SCHEMBL7490243

SCHEMBL7490243

CN1CC=C(c2cn(C(=O)c3ccc(F)cc3)c3ccc(OC(F)(F)F)cc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.56
AKR1C3 P42330 2/20 0.43
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
AKR1C2 P52895 1/20 0.40
HSD11B1 P28845 1/20 0.40
KMT2A Q03164 1/20 0.39
SLC6A4 P31645 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
SCHEMBL7490788 0.93 HTR6 (0.56) HTR6AKR1C3AKR1C2KMT2ASLC6A4
SCHEMBL7477820 0.92 HTR6 (0.68) HTR6KCNQ3KCNQ2
SCHEMBL7482946 0.86 HTR6 (0.59) HTR6AKR1C3SLC6A4
SCHEMBL7490646 0.86 HTR6 (0.59) HTR6AKR1C3AKR1C2KMT2ASLC6A4
SCHEMBL7483235 0.84 HTR6 (0.53) HTR6AKR1C3SLC6A4
SCHEMBL7488142 0.84 HTR6 (0.50) HTR6SLC6A4
SCHEMBL4674250 0.82 HTR6 (0.77) HTR6SLC6A4
SCHEMBL7484905 0.81 HTR6 (0.83) HTR6KMT2A
SCHEMBL4676382 0.81 HTR6 (0.69) HTR6
SCHEMBL7489435 0.78 HTR6 (0.61) HTR6SLC6A4

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