SCHEMBL7918704

SCHEMBL7918704

Cc1ccc(COC(=O)NC(C)(Cc2c[nH]c3ccccc23)C(=O)NC(C)c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 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
SCHEMBL29371285 1.00 TACR1 (1.00) TACR1
SCHEMBL7918701 1.00 TACR1 (1.00) TACR1
SCHEMBL7847280 0.93 TACR1 (0.90) TACR1
SCHEMBL8189473 0.92 TACR1 (0.88) TACR1
SCHEMBL8189477 0.92 TACR1 (0.88) TACR1
SCHEMBL9275371 0.92 TACR1 (1.00) TACR1
SCHEMBL9275375 0.92 TACR1 (1.00) TACR1
SCHEMBL8200979 0.92 TACR1 (1.00) TACR1
SCHEMBL8200980 0.92 TACR1 (1.00) TACR1
SCHEMBL8197471 0.89 TACR1 (1.00) TACR1

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
US-6239144-B1 ADMINISTERING A TACHYKININ RECEPTOR ANTAGONIST, 2-(N-(2-((4-CYCDOHEXYL)PIPERAZIN-1-YL)ACETYL)AMINO)-3-(1H-INDO L-3-YL)-1-(N-(2-METHOXYBENZYL)ACETYLAMINO)PROPANE, ELI LILLY AND COMPANY 2001-05-29 US claimed
WO-1997044035-A1 METHODS OF TREATING HYPERTENSION ELI LILLY AND COMPANY (US) 1997-11-27 WO claimed
EP-0747055-A2 Use of tachykinin receptors antagonists for the treatment of cold and allergic rhinitis ELI LILLY AND COMPANY (US) 1996-12-11 EP claimed
EP-0747049-A1 Use of tachykinin antagonists in combination with serotonin agonists or serotonin reuptake inhibitors for the manufacture of a medicament for the treatment of allergic rhinitis ELI LILLY AND COMPANY (US) 1996-12-11 EP claimed
WO-1996011000-A1 METHODS OF TREATING MIGRAINE ELI LILLY AND COMPANY (US) 1996-04-18 WO claimed
EP-0655055-A1 TACHYKININ ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1995-05-31 EP claimed
WO-1994004494-A1 TACHYKININ ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1994-03-03 WO claimed
EP-1000930-A2 Tachykinin antagonists WARNER-LAMBERT COMPANY (US) 2000-05-17 EP disclosed
EP-0655055-A1 TACHYKININ ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1995-05-31 EP disclosed
WO-1994004494-A1 TACHYKININ ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1994-03-03 WO disclosed