SCHEMBL6763279

SCHEMBL6763279

COc1ccccc1CN(C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC(c2ccccc2)CC1)C(C)=O

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
SCHEMBL6764651 0.90 TACR1 (0.82) TACR1
SCHEMBL6760501 0.90 TACR1 (0.86) TACR1
Lanepitant SCHEMBL6904907 0.88 TACR1 (1.00) TACR1
Lanepitant SCHEMBL30695554 0.88 TACR1 (1.00) TACR1
Lanepitant SCHEMBL14421491 0.88 TACR1 (1.00) TACR1
Lanepitant SCHEMBL121512 0.88 TACR1 (1.00) TACR1
Lanepitant SCHEMBL30522773 0.88 TACR1 (1.00) TACR1
SCHEMBL8819531 0.88 TACR1 (0.79) TACR1
SCHEMBL8818518 0.88 TACR1 (0.79) TACR1
SCHEMBL6762525 0.88 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-6727255-B1 BRAIN, NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY 2004-04-27 US claimed
EP-0729468-B1 NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2003-01-15 EP claimed
JP-2001509484-A 2001-07-24 JP claimed
EP-0994712-A1 INHIBITORS OF NEUTROPHIL MEDIATED OXIDANT PRODUCTION ELI LILLY AND COMPANY (US) 2000-04-26 EP claimed
WO-1999002163-A1 INHIBITORS OF NEUTROPHIL MEDIATED OXIDANT PRODUCTION ELI LILLY AND COMPANY (US) 1999-01-21 WO claimed
EP-0761219-A1 2-Acylaminopropanamines as growth hormone secretagogues ELI LILLY AND COMPANY (US) 1997-03-12 EP claimed
WO-1997007117-A1 2-ACYLAMINOPROPANAMINES AS GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1997-02-27 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
WO-1995014017-A1 NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1995-05-26 WO claimed