SCHEMBL29129339

SCHEMBL29129339

CN(CC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
HTR2A P28223 2/20 0.42
GPR3 P46089 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
HRH1 P35367 1/20 0.40
FABP7 O15540 1/20 0.39
FABP5 Q01469 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC22A2 O15244 1/20 0.39

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
SCHEMBL5481836 0.79 HTR2A (0.47) KMT2AHTR2APOLBCYP1A2TSHR
SCHEMBL3660751 0.78 KMT2A (0.43) KMT2AHTR2ANPC1RAB9AALDH1A1
SCHEMBL3740798 0.78 HTR2A (0.39) KMT2AHTR2AGPR3POLBMEN1
SCHEMBL29423509 0.77 HTR2A (0.62) KMT2AHTR2AGPR3ALDH1A1HRH1
SCHEMBL22690151 0.77 HTR2A (0.62) KMT2AHTR2AGPR3ALDH1A1HRH1
SCHEMBL25373589 0.75 ALDH1A1 (0.41) KMT2AHTR2ANPC1RAB9AALDH1A1
SCHEMBL16242267 0.75 KMT2A (0.40) KMT2AHTR2ACYP1A2TSHRFABP7
SCHEMBL1639593 0.73 HTR2A (0.38) KMT2AHTR2APOLBMEN1CYP1A2
SCHEMBL17454912 0.73 HTR2A (0.46) KMT2AHTR2ACYP1A2TSHRFABP7
SCHEMBL452953 0.73 TSHR (0.40) KMT2AHTR2ACYP1A2TSHRFABP7

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
CN-117279655-A Pharmaceutical use of cyclic peptide compounds 中外制药株式会社 2023-12-22 CN disclosed
CN-116615411-A Process for producing peptide compound containing N-substituted amino acid residue 中外制药株式会社 2023-08-18 CN disclosed