SCHEMBL7325668

SCHEMBL7325668

COc1c(C(=O)O)c2c(CC3CCN(CCN(C(=O)OCc4ccccc4)S(C)(=O)=O)CC3)cccc2n1C.COc1c(C(=O)O)c2ccccc2n1C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.37
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 1/20 0.35
HTR7 P34969 4/20 0.35
ALDH1A1 P00352 1/20 0.35
CCR3 P51677 1/20 0.35
HTR4 Q13639 1/20 0.35
AGTR1 P30556 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
SCHEMBL7340946 0.90 HTR4 (0.47) KMT2AMEN1HTR4AGTR1
SCHEMBL9704184 0.85 HTR4 (0.44) HTR4AGTR1
SCHEMBL7323669 0.83 HTR4 (0.39) HTR4AGTR1
SCHEMBL7302809 0.77 HTR4 (0.48) KMT2AMEN1ALDH1A1CCR3HTR4
SCHEMBL7322685 0.71 CYP2C9 (0.51) KMT2AMEN1HTR4AGTR1
SCHEMBL7304670 0.69 KDM1A (0.46) OPRM1KDM4EMAPTHTR7ALDH1A1
SCHEMBL7301885 0.65 HTR4 (0.67) KMT2AMEN1ALDH1A1HTR4AGTR1
Hydrochloric Acid SCHEMBL9540264 0.65 KCNH2 (0.43) KDM4EHTR7ALDH1A1HTR4
SCHEMBL7302843 0.64 KDM4E (0.44) KMT2AKDM4EMEN1MAPTHTR7
SCHEMBL7300816 0.64 HTR4 (0.54) KMT2AMEN1ALDH1A1HTR4

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
EP-0501322-A1 3-Piperidinylmethylcarboxylate substituted indoles GLAXO GROUP LIMITED (GB) 1992-09-02 EP disclosed