SCHEMBL7311515

SCHEMBL7311515

CC(C)N1CCN(CCCN2C(=O)OC(N3CCN(CCC(=O)O)CC3)C2C)CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.37
DAO P14920 1/20 0.33
GLA P06280 1/20 0.32
CYP1A2 P05177 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HTR4 Q13639 1/20 0.30

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
SCHEMBL7314586 0.96 MAOB (0.37) MAOBDAOCYP1A2MAPK1SMN1; SMN2
SCHEMBL7300811 0.92 MAOB (0.37) MAOBDAOHTR4
SCHEMBL7306138 0.89 SMN1; SMN2 (0.36) MAOBDAOSMN1; SMN2HTR4
SCHEMBL7308037 0.88 PKM (0.35) GLACYP1A2MAPK1SMN1; SMN2
SCHEMBL7313111 0.87 HRH3 (0.31) GLA
SCHEMBL7313310 0.87 MAOB (0.35) MAOBDAOSMN1; SMN2HTR4
SCHEMBL7311142 0.86 GLA (0.34) GLACYP1A2MAPK1SMN1; SMN2
SCHEMBL7309143 0.85 CYP1A2 (0.32) MAOBCYP1A2MAPK1SMN1; SMN2
SCHEMBL7304525 0.84 CYP1A2 (0.38) CYP1A2MAPK1SMN1; SMN2
SCHEMBL7307606 0.82 CHRM2 (0.43) SMN1; SMN2

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