SCHEMBL7737642

SCHEMBL7737642

CN(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 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.54
BRS3 P32247 1/20 0.47
TACR2 P21452 3/20 0.47
CALCRL Q16602 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
SCHEMBL7745573 0.94 TACR1 (0.54) TACR1BRS3TACR2
SCHEMBL7743602 0.92 TACR1 (0.56) TACR1BRS3CALCRL
SCHEMBL7743799 0.92 TACR1 (0.59) TACR1TACR2
SCHEMBL7742280 0.91 TACR1 (0.58) TACR1BRS3CALCRL
SCHEMBL7743809 0.89 TACR1 (0.58) TACR1BRS3TACR2CALCRL
SCHEMBL7742355 0.87 TACR1 (0.58) TACR1BRS3TACR2CALCRL
SCHEMBL7743198 0.87 BRS3 (0.56) TACR1BRS3CALCRL
SCHEMBL7743573 0.87 TACR1 (0.62) TACR1BRS3TACR2CALCRL
SCHEMBL7745563 0.86 TACR1 (0.56) TACR1BRS3
SCHEMBL7743791 0.86 TACR1 (0.62) TACR1BRS3TACR2CALCRL

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-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
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
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