SCHEMBL8702158

SCHEMBL8702158

CCCNC(=O)CCCc1cccc(-c2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c1C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.40
MTNR1B P49286 5/20 0.40
LTB4R2 Q9NPC1 1/20 0.35
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA2 P47869 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8695083 0.85 CD274 (0.38) MTNR1A
SCHEMBL8698313 0.80 CD274 (0.39) MTNR1A
SCHEMBL4609709 0.77 LTB4R2 (0.60) LTB4R2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8702156 0.74 NPC1 (0.42) LTB4R2
SCHEMBL8702166 0.73 LTB4R2 (0.42) LTB4R2
SCHEMBL3691604 0.72 NAAA (0.52) HDAC3HDAC1HDAC2MEN1KMT2A
SCHEMBL6962603 0.70 NR1H2 (0.36)
SCHEMBL9709753 0.70 LTB4R2 (0.42) LTB4R2
SCHEMBL9709552 0.70 IAPP (0.40) LTB4R2
SCHEMBL9709732 0.70 LTB4R2 (0.41) LTB4R2

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