SCHEMBL7865112

SCHEMBL7865112

CN1CC=C(c2c[nH]c3cc(F)ccc23)CC1

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.81
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
TDO2 P48775 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
SCHEMBL4673448 0.90 SLC6A4 (1.00) SLC6A4KDM4ELMNAPOLBHTR1A
Bromide SCHEMBL7867371 0.88 SLC6A4 (0.97) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL12285207 0.84 SLC6A4 (0.67) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL4670751 0.84 SLC6A4 (0.81) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL4671416 0.84 SLC6A4 (0.81) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL7859785 0.84 SLC6A4 (0.72) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL7867998 0.84 SLC6A4 (0.63) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL18324732 0.82 TDO2 (0.81) SLC6A4HTR1ATDO2
SCHEMBL6976036 0.82 HTR1A (0.63) SLC6A4KDM4ELMNAHTR1AALOX15
SCHEMBL3340115 0.81 SLC6A4 (0.63) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077213-A2 Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 2001-02-21 EP 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