SCHEMBL7743822

SCHEMBL7743822

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.58
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
NFKB1 P19838 1/20 0.49
APEX1 P27695 1/20 0.49
CYP2C19 P33261 1/20 0.49
THPO P40225 1/20 0.49
BLM P54132 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
BRS3 P32247 1/20 0.47

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
SCHEMBL7737712 0.94 TACR1 (0.59) TACR1KDM4EMEN1ALDH1A1LMNA
SCHEMBL7743602 0.92 TACR1 (0.56) TACR1BRS3
SCHEMBL7743799 0.92 TACR1 (0.59) TACR1KDM4EMEN1ALDH1A1LMNA
SCHEMBL7742314 0.90 TACR1 (0.60) TACR1BRS3
SCHEMBL7743510 0.90 TACR1 (0.60) TACR1BRS3
SCHEMBL7743755 0.89 TACR1 (0.60) TACR1BRS3
SCHEMBL7743608 0.89 TACR1 (0.65) TACR1BRS3
SCHEMBL7743527 0.88 TACR1 (0.65) TACR1BRS3
SCHEMBL7743176 0.88 TACR1 (0.64) TACR1BRS3
SCHEMBL7737676 0.88 TACR1 (0.59) 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