SCHEMBL6762332

SCHEMBL6762332

O=C(CCc1ccccc1Cl)NC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCNCC1C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 12/20 0.47
MAPT P10636 1/20 0.41
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
HPGD P15428 2/20 0.39
GHSR Q92847 1/20 0.38
ECE1 P42892 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL6767454 0.92 TACR1 (0.51) TACR1MAPTBCHEACHEHPGD
SCHEMBL6299831 0.90 TACR1 (0.50) TACR1
SCHEMBL6760489 0.90 TACR1 (0.50) TACR1
SCHEMBL6983476 0.84 TACR1 (0.68) TACR1
SCHEMBL6760502 0.82 TACR1 (0.54) TACR1
SCHEMBL6299711 0.81 TACR1 (0.70) TACR1MAPTBCHEACHE
SCHEMBL6764654 0.79 TACR1 (0.58) TACR1BCHEACHE
SCHEMBL6763276 0.77 TACR1 (0.56) TACR1MAPT
SCHEMBL6767352 0.77 TACR1 (0.68) TACR1
SCHEMBL7778001 0.76 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 6 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-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