SCHEMBL4716609

SCHEMBL4716609

CC(C)(CCN)OC(=O)N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40
EPHX1 P07099 1/20 0.39
NAMPT P43490 1/20 0.39
MAPT P10636 3/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL4714585 0.98 HPGD (0.46) HPGDSMN1; SMN2USP2EPHX1NAMPT
SCHEMBL4718747 0.85 HPGD (0.46) HPGDSMN1; SMN2USP2EPHX1NAMPT
SCHEMBL3415092 0.84 HPGD (0.49) HPGDSMN1; SMN2USP2EPHX1NAMPT
SCHEMBL6461610 0.82 HPGD (0.47) HPGDSMN1; SMN2USP2EPHX1MAPT
SCHEMBL4637521 0.81 HPGD (0.42) HPGDSMN1; SMN2USP2EPHX1NAMPT
SCHEMBL8908678 0.81 HPGD (0.46) HPGDSMN1; SMN2USP2EPHX1MAPT
SCHEMBL1848025 0.79 HPGD (0.47) HPGDSMN1; SMN2USP2EPHX1MAPT
SCHEMBL7500112 0.79 HPGD (0.45) HPGDSMN1; SMN2USP2EPHX1MAPT
SCHEMBL6817102 0.78 HPGD (0.41) HPGDSMN1; SMN2USP2EPHX1NAMPT
SCHEMBL7497409 0.78 HPGD (0.44) HPGDSMN1; SMN2USP2EPHX1MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899335-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2008-03-19 EP disclosed
WO-2007003611-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2007-01-11 WO disclosed
EP-1615930-A2 TRIAZOLOTRIAZINES AND PYRAZOLOTRIAZINES USEFUL AS A2A ADENOSINE RECEPTOR ANTAGONISTS Biogen Idec MA, Inc. (US) 2006-01-18 EP disclosed
WO-2004092170-A2 TRIAZOLOTRIAZINES AND PYRAZOLOTRIAZINES USEFUL AS A2A ADENOSINE RECEPTOR ANTAGON ISTS BIOGEN IDEC MA INC. (US) 2004-10-28 WO disclosed
EP-1131288-A1 PYRROLIDINE DERIVATIVES-CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-09-12 EP disclosed
WO-2000031032-A1 PYRROLIDINE DERIVATIVES-CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-02 WO disclosed