SCHEMBL4460381

SCHEMBL4460381

O=C1CCC(I)(C(=O)O)N1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
KCNH2 Q12809 1/20 0.41
LTC4S Q16873 1/20 0.41
AMPD2 Q01433 3/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
STAT6 P42226 1/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2D6 P10635 2/20 0.39

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
SCHEMBL288660 0.88 HTT (0.43) ALDH1A1HPGDTSHRPOLB
SCHEMBL290017 0.85 KMT2A (0.43) L3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL288186 0.82 SMN1; SMN2 (0.46) ALDH1A1GAAKMT2AMEN1
SCHEMBL288848 0.82 NPSR1 (0.57) L3MBTL1ALDH1A1GAAKMT2APKM
SCHEMBL3733166 0.80 TSHR (0.52) AMPD2ALDH1A1GAATSHRKMT2A
SCHEMBL22394905 0.77 HCRTR1 (0.50) HCRTR1HCRTR2KCNH2LTC4SDDB1
SCHEMBL8876707 0.76 ALDH1A1 (0.50) AMPD2DDB1CRBNL3MBTL1ALDH1A1
SCHEMBL14828739 0.76 TSHR (0.51) AMPD2ALDH1A1GAATSHRKMT2A
SCHEMBL14828734 0.76 ALDH1A1 (0.49) AMPD2DDB1CRBNL3MBTL1ALDH1A1
SCHEMBL14665104 0.74 TSHR (0.52) AMPD2ALDH1A1GAATSHRKMT2A

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
WO-2009074518-A1 COMBINATIONS OF PROLINAMIDE P2X7 MODULATORS WITH FURTHER THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2009-06-18 WO disclosed