SCHEMBL7309596

SCHEMBL7309596

COC(=O)CCN1CCN(C2OC(=O)N(CCCCN3CCN(Cc4ccccc4)CC3)C2C)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
HTR7 P34969 5/20 0.42
HTR1A P08908 1/20 0.42
TSHR P16473 1/20 0.41
CACNA1G O43497 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL7312588 0.98 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1MAPTHTR7
SCHEMBL7310167 0.96 CACNA1G (0.42) ALDH1A1KMT2AMEN1MAPTHTR7
SCHEMBL7314334 0.94 CACNA1G (0.42) ALDH1A1KMT2AMEN1MAPTHTR7
SCHEMBL7307041 0.94 KMT2A (0.44) ALDH1A1KMT2AMEN1MAPTHTR7
SCHEMBL7314534 0.94 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1TSHR
SCHEMBL7314139 0.93 CACNA1G (0.42) ALDH1A1KMT2AMEN1MAPTHTR7
SCHEMBL7304824 0.92 ACHE (0.43)
SCHEMBL7314518 0.92 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1MAPTTSHR
SCHEMBL7311514 0.91 ACHE (0.42)
SCHEMBL7311744 0.91 HTR7 (0.43) ALDH1A1KMT2AHTR7HTR1ATSHR

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-0711770-A1 Antagonists of adhesion receptors MERCK PATENT GmbH (DE) 1996-05-15 EP disclosed