SCHEMBL20669101

SCHEMBL20669101

CCCCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 6/20 0.61
▸ TLR2 O60603 1/20 0.58
▸ KISS1R Q969F8 2/20 0.55
▸ MMP3 P08254 2/20 0.54
▸ MMP9 P14780 1/20 0.54
▸ CHRNB2 P17787 1/20 0.53
▸ CHRNB4 P30926 1/20 0.53
▸ CHRNA3 P32297 1/20 0.53
▸ CHRNA4 P43681 1/20 0.53
▸ NPY4R P50391 3/20 0.53
▸ NPY1R P25929 2/20 0.53
▸ NPY2R P49146 2/20 0.53
▸ NPY5R Q15761 2/20 0.53
▸ SIRT1 Q96EB6 2/20 0.53
▸ SIRT6 Q8N6T7 1/20 0.53
▸ SIRT2 Q8IXJ6 1/20 0.52
▸ SIRT3 Q9NTG7 1/20 0.52
▸ REN P00797 1/20 0.51
▸ F2 P00734 1/20 0.51

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
SCHEMBL22030266 0.94 OPRK1 (0.63) OPRK1KISS1RMMP3MMP9NPY4R
SCHEMBL18413059 0.93 OPRK1 (0.61) OPRK1TLR2KISS1RNPY4RNPY1R
SCHEMBL12317346 0.93 OPRK1 (0.61) OPRK1TLR2KISS1RNPY4RNPY1R
SCHEMBL20363344 0.93 OPRK1 (0.61) OPRK1TLR2KISS1RNPY4RNPY1R
SCHEMBL22957091 0.93 OPRK1 (0.61) OPRK1TLR2KISS1RNPY4RNPY1R
SCHEMBL23734113 0.92 KISS1R (0.61) OPRK1KISS1RNPY4RNPY1RNPY2R
SCHEMBL11927477 0.92 OPRK1 (0.60) OPRK1KISS1RNPY4RNPY1RNPY2R
SCHEMBL11927456 0.92 OPRK1 (0.60) OPRK1KISS1RNPY4RNPY1RNPY2R
SCHEMBL11931479 0.92 OPRK1 (0.60) OPRK1KISS1RNPY4RNPY1RNPY2R
SCHEMBL11927461 0.92 OPRK1 (0.60) OPRK1KISS1RNPY4RNPY1RNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019015644-A1 PEPTIDE AMIDE COMPOUND AND PREPARATION METHOD AND MEDICAL USE THEREOF 四川海思科制药有限公司 2019-01-24 — — WO disclosed
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