SCHEMBL29131632

SCHEMBL29131632

NC(Cc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.59
KMT2A Q03164 2/20 0.58
HTT P42858 2/20 0.57
EPHX2 P34913 2/20 0.57
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 1/20 0.55
EPHX1 P07099 1/20 0.55
RECQL P46063 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
CFD P00746 2/20 0.52
TAOK1 Q7L7X3 1/20 0.52
TAOK3 Q9H2K8 1/20 0.52

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
SCHEMBL29131630 1.00 OPRK1 (0.59) OPRK1KMT2AHTTEPHX2ALDH1A1
SCHEMBL5651521 0.93 TAOK3 (0.58) OPRK1KMT2AHTTEPHX2ALDH1A1
SCHEMBL29131610 0.88 EPHX2 (0.60) OPRK1KMT2AHTTEPHX2ALDH1A1
SCHEMBL29131614 0.88 EPHX2 (0.60) OPRK1KMT2AHTTEPHX2ALDH1A1
SCHEMBL16371380 0.87 KMT2A (0.55) OPRK1KMT2AHTTALDH1A1MEN1
SCHEMBL16392356 0.87 KMT2A (0.64) OPRK1KMT2AHTTALDH1A1MEN1
SCHEMBL18337564 0.87 KMT2A (0.64) OPRK1KMT2AHTTALDH1A1MEN1
SCHEMBL16370583 0.87 KMT2A (0.55) OPRK1KMT2AHTTALDH1A1MEN1
SCHEMBL18351571 0.87 KMT2A (0.64) OPRK1KMT2AHTTALDH1A1MEN1
SCHEMBL18351563 0.87 KMT2A (0.64) OPRK1KMT2AHTTALDH1A1MEN1

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
CN-117186174-A Tripeptide compound, preparation method and application thereof 浙大城市学院 2023-12-08 CN disclosed