SCHEMBL7864862

SCHEMBL7864862

CN1CC=C(c2cc3cc(F)c(F)cc3s2)CC1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.39
SLC6A4 P31645 1/20 0.38

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 SCHEMBL7859762 0.82 SLC6A4 (0.46) QDPRSLC6A4
SCHEMBL11880744 0.78 QDPR (0.43) QDPRSLC6A4
SCHEMBL7866309 0.78 SLC6A4 (0.47) QDPRSLC6A4
SCHEMBL7870925 0.78 SLC6A4 (0.47) QDPRSLC6A4
Formic Acid SCHEMBL7867987 0.77 SLC6A4 (0.42) QDPRSLC6A4
Bromide SCHEMBL7865101 0.76 QDPR (0.38) QDPRSLC6A4
Oxalic Acid SCHEMBL7859566 0.72 SLC6A4 (0.42) QDPRSLC6A4
SCHEMBL7867447 0.70 SLC6A4 (0.45) SLC6A4
SCHEMBL7866268 0.70 SLC6A4 (0.44) QDPRSLC6A4
SCHEMBL31718158 0.68 QDPR (0.63) QDPR

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-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
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