SCHEMBL6764654

SCHEMBL6764654

O=C(CCc1ccccc1Cl)NC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC(c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 12/20 0.58
BRS3 P32247 2/20 0.49
BCHE P06276 2/20 0.48
ACHE P22303 2/20 0.48
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
MMP3 P08254 1/20 0.46

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
SCHEMBL6763282 0.89 TACR1 (0.71) TACR1
SCHEMBL6299711 0.88 TACR1 (0.70) TACR1BRS3BCHEACHE
SCHEMBL6767352 0.88 TACR1 (0.68) TACR1
SCHEMBL6763276 0.86 TACR1 (0.56) TACR1BRS3
SCHEMBL6764651 0.82 TACR1 (0.82) TACR1
SCHEMBL6767454 0.82 TACR1 (0.51) TACR1BRS3BCHEACHE
SCHEMBL6762332 0.79 TACR1 (0.47) TACR1BCHEACHE
SCHEMBL23629620 0.78 TACR1 (0.72) TACR1
SCHEMBL2997671 0.78 TACR1 (0.72) TACR1
SCHEMBL30307065 0.78 TACR1 (0.72) 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 8 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
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
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