SCHEMBL4673448

SCHEMBL4673448

CN1CC=C(c2c[nH]c3ccc(F)cc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 1.00
KDM4E B2RXH2 1/20 0.67
LMNA P02545 1/20 0.67
POLB P06746 1/20 0.67
HTR1A P08908 1/20 0.67
ALOX15 P16050 1/20 0.67
HTR6 P50406 1/20 0.67
HSD17B10 Q99714 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67

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
Bromide SCHEMBL7867371 0.99 SLC6A4 (0.97) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL7865112 0.90 SLC6A4 (0.81) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL8607603 0.87 SLC6A4 (0.77) SLC6A4
SCHEMBL13323539 0.86 SLC6A4 (1.00) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL7479356 0.84 SLC6A4 (0.76) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL3130981 0.84 SLC6A4 (1.00) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL1275594 0.84 SLC6A4 (1.00) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL5367487 0.84 SLC6A4 (0.76) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL7859785 0.84 SLC6A4 (0.72) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL4672856 0.84 SLC6A4 (0.72) SLC6A4KDM4ELMNAPOLBHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1173432-B9 PIPERIDINE-INDOLE COMPOUNDS HAVING 5-HT6 AFFINITY NPS ALLELIX CORP (CA) 2008-10-15 EP disclosed
EP-1173432-B1 PIPERIDINE-INDOLE COMPOUNDS HAVING 5-HT6 AFFINITY NPS ALLELIX CORP (CA) 2007-10-17 EP disclosed
EP-1173432-A1 PIPERIDINE-INDOLE COMPOUNDS HAVING 5-HT6 AFFINITY NPS Allelix Corp. (CA) 2002-01-23 EP disclosed
EP-1077213-A2 Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 2001-02-21 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
US-6046215-A A PIPERIDINYLBENZOTHIOPHENES USEFUL FOR TRATING BRAIN DISORDERS ELI LILLY AND COMPANY (US) 2000-04-04 US disclosed
US-5846982-A Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 1998-12-08 US disclosed
WO-1997047302-A1 INHIBITION OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1997-12-18 WO disclosed
EP-0812826-A1 1H-indole and benzo(b)thiophene derivatives with 4-(1,2,3,6-tetra:hydro:pyridinyl)- and 4-piperidinyl-groups bound to the heterocyclic ring as inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1997-12-17 EP disclosed