SCHEMBL8695083

SCHEMBL8695083

Cc1c(CCCC(N)=O)cccc1-c1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 10/20 0.38
PDCD1 Q15116 3/20 0.37
MTNR1A P48039 1/20 0.36
TLR8 Q9NR97 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
ATM Q13315 1/20 0.33
MPO P05164 1/20 0.33
CYP2C19 P33261 1/20 0.33
EPHX1 P07099 1/20 0.32

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
SCHEMBL8698313 0.94 CD274 (0.39) CD274PDCD1MTNR1AFFAR4MPO
SCHEMBL8702158 0.85 MTNR1A (0.40) MTNR1A
SCHEMBL8696466 0.80 CD274 (0.55) CD274PDCD1MTNR1ATLR8FFAR4
SCHEMBL7382950 0.77 PTGER1 (0.35) MTNR1AATMMPOCYP2C19
SCHEMBL8702156 0.75 NPC1 (0.42)
SCHEMBL8702166 0.74 LTB4R2 (0.42)
SCHEMBL4436864 0.73 MKNK1 (0.47) CYP2C19
SCHEMBL8699097 0.73 CD274 (0.57) CD274PDCD1MTNR1AFFAR4EPHX1
SCHEMBL8701532 0.72 ALDH1A1 (0.46) ATM
SCHEMBL8696572 0.72 CD274 (0.46) CD274PDCD1MTNR1ATLR8FFAR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5726319-A Biphenyl substituted dipeptide analogs promote release of growth hormone MERCK & CO., INC. (US) 1998-03-10 US claimed
US-5726319-A Biphenyl substituted dipeptide analogs promote release of growth hormone MERCK & CO., INC. (US) 1998-03-10 US disclosed