SCHEMBL7745641

SCHEMBL7745641

CCOc1ccc(CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)CN2CCC(N3CCCCC3)CC2)cc1OCC

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.55
TACR1 P25103 8/20 0.54
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
CALCRL Q16602 1/20 0.46
KMT2A Q03164 1/20 0.46
NMBR P28336 1/20 0.45

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
SCHEMBL7743793 0.94 TACR1 (0.54) BRS3TACR1MAPTGAAHTT
SCHEMBL8748207 0.93 BRS3 (0.55) BRS3TACR1MAPTGAAHTT
SCHEMBL7743583 0.91 TACR1 (0.60) BRS3TACR1MAPTGAAHTT
SCHEMBL7743607 0.91 TACR1 (0.59) BRS3TACR1MAPTCALCRLNMBR
SCHEMBL7743593 0.90 BRS3 (0.58) BRS3TACR1MAPTGAAHTT
SCHEMBL7742437 0.88 BRS3 (0.58) BRS3TACR1MAPTGAAHTT
SCHEMBL7737718 0.88 TACR1 (0.55) BRS3TACR1CALCRLNMBR
SCHEMBL7745643 0.87 TACR1 (0.59) BRS3TACR1CALCRLNMBR
SCHEMBL7743028 0.87 TACR1 (0.54) BRS3TACR1MAPTGAAHTT
SCHEMBL7742826 0.87 TACR1 (0.60) BRS3TACR1MAPTCALCRLKMT2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0819005-A4 2-ACYLAMINOPROPANAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2001-03-21 EP claimed
EP-0819005-A1 2-ACYLAMINOPROPANAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1998-01-21 EP claimed
EP-0761220-A1 2-Acylaminopropanamides as growth hormone secretagogues ELI LILLY AND COMPANY (US) 1997-03-12 EP claimed
WO-1997006803-A1 2-ACYLAMINOPROPANAMIDES AS GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1997-02-27 WO claimed
US-5565568-A USEFUL IN TREATMENT OR PREVENTION OF A PHYSIOLOGICAL DISORDER ASSOCIATED WITH AN EXCESS OF TACHYKININS ELI LILLY AND COMPANY (US) 1996-10-15 US claimed
WO-1996031214-A1 2-ACYLAMINOPROPANAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-10-10 WO claimed
EP-0819005-A4 2-ACYLAMINOPROPANAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2001-03-21 EP disclosed
EP-0819005-A1 2-ACYLAMINOPROPANAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1998-01-21 EP disclosed
EP-0761220-A1 2-Acylaminopropanamides as growth hormone secretagogues ELI LILLY AND COMPANY (US) 1997-03-12 EP disclosed
WO-1997006803-A1 2-ACYLAMINOPROPANAMIDES AS GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1997-02-27 WO disclosed
US-5565568-A USEFUL IN TREATMENT OR PREVENTION OF A PHYSIOLOGICAL DISORDER ASSOCIATED WITH AN EXCESS OF TACHYKININS ELI LILLY AND COMPANY (US) 1996-10-15 US disclosed
WO-1996031214-A1 2-ACYLAMINOPROPANAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-10-10 WO disclosed