SCHEMBL2997671

SCHEMBL2997671

COc1ccccc1CCC(=O)NC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC(N2CCCCC2)CC1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.72

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
SCHEMBL23629620 1.00 TACR1 (0.72) TACR1
SCHEMBL30307065 1.00 TACR1 (0.72) TACR1
Hydrochloric Acid SCHEMBL7823238 0.99 TACR1 (0.71) TACR1
Water SCHEMBL7834521 0.99 TACR1 (0.71) TACR1
Hydrochloric Acid SCHEMBL7833330 0.99 TACR1 (0.70) TACR1
Oxalic Acid SCHEMBL8748967 0.98 TACR1 (0.69) TACR1
SCHEMBL6299711 0.90 TACR1 (0.70) TACR1
SCHEMBL7035504 0.90 TACR1 (0.63) TACR1
SCHEMBL6947598 0.89 TACR1 (0.74) TACR1
SCHEMBL6763282 0.88 TACR1 (0.71) 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 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729468-B1 NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2003-01-15 EP claimed
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
JP-2000511193-A 2000-08-29 JP claimed
EP-0912178-A4 METHODS OF TREATING HYPERTENSION LILLY CO ELI (US) 2000-08-16 EP claimed
US-6017930-A Methods of treating or preventing interstitial cystitis ELI LILLY AND COMPANY (US) 2000-01-25 US claimed
US-6001837-A Methods of treating or preventing sleep apnea ELI LILLY AND COMPANY (US) 1999-12-14 US claimed
EP-0912178-A1 METHODS OF TREATING HYPERTENSION ELI LILLY AND COMPANY (US) 1999-05-06 EP claimed
EP-0710479-B1 Use of a serotonin agonist in combination with a tachykinin receptor antagonist for the manufacture of a medicament for the treatment or prevention of migraine LILLY CO ELI (US) 1999-01-07 EP claimed
WO-1998043639-A1 METHODS OF TREATING BONE LOSS ELI LILLY AND COMPANY (US) 1998-10-08 WO claimed
WO-1997044035-A1 METHODS OF TREATING HYPERTENSION ELI LILLY AND COMPANY (US) 1997-11-27 WO claimed
WO-1997007117-A1 2-ACYLAMINOPROPANAMINES AS GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1997-02-27 WO claimed
WO-1996041633-A1 METHODS OF TREATING COLD AND ALLERGIC RHINITIS ELI LILLY AND COMPANY (US) 1996-12-27 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-1996029074-A1 METHODS OF TREATING OR PREVENTING PAIN OR NOCICEPTION ELI LILLY AND COMPANY (US) 1996-09-26 WO claimed
EP-0729468-A1 NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-09-04 EP claimed
EP-0729468-A4 NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1996-07-12 EP claimed
EP-0710479-A1 Use of a serotonin agonist in combination with a tachykinin receptor antagonist for the manufacture of a medicament for the treatment or prevention of migraine ELI LILLY AND COMPANY (US) 1996-05-08 EP claimed
WO-1996011000-A1 METHODS OF TREATING MIGRAINE ELI LILLY AND COMPANY (US) 1996-04-18 WO claimed
WO-1995014017-A1 NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1995-05-26 WO claimed