SCHEMBL29131608

SCHEMBL29131608

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

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.60
ALDH1A1 P00352 2/20 0.59
TAS1R3 Q7RTX0 3/20 0.59
TAS1R1 Q7RTX1 3/20 0.59
TAS1R2 Q8TE23 1/20 0.59
TSHR P16473 1/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
EPHX1 P07099 1/20 0.58
TAOK1 Q7L7X3 1/20 0.56
TAOK3 Q9H2K8 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL29131611 1.00 HTT (0.60) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL12310924 0.89 HTT (0.61) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL24105900 0.89 HTT (0.63) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL24105898 0.89 HTT (0.63) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL12308334 0.89 HTT (0.63) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL5653431 0.86 ALDH1A1 (0.64) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL19652059 0.84 EPHX1 (0.59) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL29131602 0.83 L3MBTL1 (0.67) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL29131600 0.83 L3MBTL1 (0.67) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL29131615 0.82 KMT2A (0.56) HTTALDH1A1TAS1R3TAS1R1TAS1R2

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