SCHEMBL7745563

SCHEMBL7745563

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)CN1CCN(C2CCCCC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 16/20 0.56
BRS3 P32247 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PSMB8 P28062 1/20 0.44
PSMB9 P28065 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
SCHEMBL7743602 0.95 TACR1 (0.56) TACR1BRS3
SCHEMBL7737712 0.92 TACR1 (0.59) TACR1MEN1KMT2A
SCHEMBL7745573 0.92 TACR1 (0.54) TACR1BRS3MEN1KMT2ASMN1; SMN2
SCHEMBL7737734 0.91 TACR1 (0.60) TACR1MEN1KMT2ASMN1; SMN2PSMB8
SCHEMBL7743797 0.89 TACR1 (0.60) TACR1BRS3MEN1KMT2ASMN1; SMN2
SCHEMBL7743693 0.88 TACR1 (0.64) TACR1
SCHEMBL7743547 0.88 TACR1 (0.58) TACR1BRS3MEN1KMT2ASMN1; SMN2
SCHEMBL7737724 0.88 TACR1 (0.60) TACR1BRS3MEN1KMT2ASMN1; SMN2
SCHEMBL7737705 0.87 TACR1 (0.64) TACR1BRS3MEN1KMT2ASMN1; SMN2
SCHEMBL7737642 0.86 TACR1 (0.54) 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