SCHEMBL4622290

SCHEMBL4622290

O=C(Nc1ccc(OCCCN2CC3CCCC3C2)cc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.56
KMT2A Q03164 3/20 0.52
POLB P06746 3/20 0.52
MEN1 O00255 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
EPHX2 P34913 3/20 0.48
MAPT P10636 2/20 0.46
USP2 O75604 1/20 0.46
ESR1 P03372 1/20 0.46
NR4A1 P22736 1/20 0.46
PTK2B Q14289 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
HRH2 P25021 1/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44

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
Oxalic Acid SCHEMBL4493552 0.98 HRH3 (0.54) HRH3KMT2APOLBMEN1L3MBTL1
SCHEMBL4622216 0.85 HRH3 (0.61) HRH3EPHX2HRH2
Oxalic Acid SCHEMBL4491372 0.84 HRH3 (0.57) HRH3KMT2APOLBMEN1EPHX2
SCHEMBL4620057 0.82 EPHX2 (0.67) HRH3KMT2AMEN1EPHX2MAPT
SCHEMBL4489261 0.82 HRH3 (0.66) HRH3KMT2AMEN1EPHX2HRH2
SCHEMBL4500729 0.81 HRH3 (0.65) HRH3KMT2AMEN1EPHX2MAPT
Oxalic Acid SCHEMBL4497957 0.81 HRH3 (0.61) HRH3KMT2APOLBMEN1MAPT
SCHEMBL4621969 0.80 EPHX2 (0.61) HRH3KMT2AMEN1EPHX2MAPT
SCHEMBL4485900 0.80 HRH3 (0.63) HRH3KMT2AMEN1EPHX2MAPT
SCHEMBL4487976 0.80 HRH3 (0.63) HRH3KMT2AMEN1EPHX2MAPT

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-1720544-B1 NOVEL AZABICYCLIC DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2008-03-19 EP disclosed