SCHEMBL7308028

SCHEMBL7308028

CCN1CCN(CCCN2CC(CN3CCN(CCC(=O)O)CC3)OC2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTR2B P41595 6/20 0.38
PKM P14618 1/20 0.36
GLA P06280 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TERT O14746 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL7304510 0.95 MAPK1 (0.39) MAPK1L3MBTL1HTR2BPKMALDH1A1
SCHEMBL7313570 0.91 MAPK1 (0.39) MAPK1L3MBTL1HTR2BPKMALDH1A1
SCHEMBL7311133 0.91 MAPK1 (0.41) MAPK1L3MBTL1HTR2BGLACYP1A2
SCHEMBL7314702 0.88 SMN1; SMN2 (0.38) MAPK1L3MBTL1HTR2BPKMALDH1A1
SCHEMBL7311505 0.88 HTR2B (0.44) MAPK1L3MBTL1HTR2BGLACYP1A2
SCHEMBL7304061 0.87 HTR2B (0.35) MAPK1L3MBTL1HTR2BGLACYP1A2
SCHEMBL7310986 0.86 HTR2B (0.36) MAPK1L3MBTL1HTR2BPKMGLA
SCHEMBL7307060 0.86 MAPK1 (0.41) MAPK1L3MBTL1HTR2BMEN1KMT2A
SCHEMBL7317060 0.85 MAPK1 (0.37) MAPK1L3MBTL1HTR2BPKMGLA
SCHEMBL7316784 0.84 HTR2B (0.35) MAPK1L3MBTL1HTR2BGLACYP1A2

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