SCHEMBL7743602

SCHEMBL7743602

CC(=O)N(Cc1cc(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CN1CCC(N2CCCCC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.56
BRS3 P32247 1/20 0.46
CALCRL Q16602 1/20 0.44

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
SCHEMBL7745563 0.95 TACR1 (0.56) TACR1BRS3
SCHEMBL7737642 0.92 TACR1 (0.54) TACR1BRS3CALCRL
SCHEMBL7743822 0.92 TACR1 (0.58) TACR1BRS3
SCHEMBL7743510 0.91 TACR1 (0.60) TACR1BRS3CALCRL
SCHEMBL7742314 0.89 TACR1 (0.60) TACR1BRS3CALCRL
SCHEMBL7743755 0.88 TACR1 (0.60) TACR1BRS3CALCRL
SCHEMBL7743608 0.88 TACR1 (0.65) TACR1BRS3CALCRL
SCHEMBL7743527 0.87 TACR1 (0.65) TACR1BRS3CALCRL
SCHEMBL7745573 0.86 TACR1 (0.54) TACR1BRS3
SCHEMBL7743176 0.86 TACR1 (0.64) TACR1BRS3

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
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