SCHEMBL7743799

SCHEMBL7743799

CN(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 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.59
TACR2 P21452 1/20 0.55
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
NFKB1 P19838 1/20 0.48
APEX1 P27695 1/20 0.48
CYP2C19 P33261 1/20 0.48
THPO P40225 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL7742307 0.94 TACR1 (0.64) TACR1TACR2KDM4EMEN1ALDH1A1
SCHEMBL7737642 0.92 TACR1 (0.54) TACR1TACR2
SCHEMBL7743822 0.92 TACR1 (0.58) TACR1KDM4EMEN1ALDH1A1LMNA
SCHEMBL7743809 0.90 TACR1 (0.58) TACR1TACR2
SCHEMBL7742280 0.89 TACR1 (0.58) TACR1
SCHEMBL7743573 0.89 TACR1 (0.62) TACR1TACR2
SCHEMBL7742355 0.89 TACR1 (0.58) TACR1TACR2
SCHEMBL7743791 0.88 TACR1 (0.62) TACR1TACR2
SCHEMBL7743210 0.87 TACR1 (0.62) TACR1TACR2
SCHEMBL7737702 0.87 TACR1 (0.57) TACR1TACR2

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 7 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
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-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