SCHEMBL8458076

SCHEMBL8458076

OCCC1(c2ccc(Cl)c(Cl)c2)CCCCNC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 20/20 1.00
SLC6A3 Q01959 18/20 1.00
SLC6A2 P23975 17/20 1.00
CYP2D6 P10635 1/20 1.00

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
SCHEMBL3466313 0.96 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL1981733 0.96 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL1981732 0.96 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL6970883 0.90 SLC6A4 (0.84) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL6990556 0.90 SLC6A4 (0.84) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL6994188 0.90 SLC6A4 (0.84) SLC6A4SLC6A3SLC6A2CYP2D6
Hydrochloric Acid SCHEMBL6996236 0.89 SLC6A2 (0.82) SLC6A4SLC6A3SLC6A2CYP2D6
Hydrochloric Acid SCHEMBL8568964 0.89 SLC6A2 (0.82) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL14314490 0.89 SLC6A4 (0.80) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL3466791 0.88 SLC6A4 (0.85) SLC6A4SLC6A3SLC6A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0591040-B1 Quaternary basic amides as tachykinines antagonists SANOFI SA (FR) 1999-02-03 EP disclosed
US-5712288-A TACHYKININ ANTAGONIST, ANTIINFLAMMATORY, ANTIALLERGEN SANOFI (FR) 1998-01-27 US disclosed
US-5679693-A TREATMENT OF PATHOLOGICAL CONDITIONS INVOLVING THE TACHYKININ SYSTEM SANOFI (FR) 1997-10-21 US disclosed
US-5583134-A QUATERNARY BASIC AMIDE DERIVATIVES; USEFUL FOR TREATING PATHOLOGICAL CONDITION INVOLVING THE TACHYKININ SYSTEM SANOFI (FR) 1996-12-10 US disclosed
US-5563133-A NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1996-10-08 US disclosed
US-5554763-A TACHYKININ ANTAGONISTS SANOFI (FR) 1996-09-10 US disclosed
EP-0714891-A1 Heterocyclic tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-06-05 EP disclosed
EP-0591040-A1 Quaternary basic amides as tachykinines antagonists SANOFI (FR) 1994-04-06 EP disclosed