SCHEMBL4621872

SCHEMBL4621872

O=C(O)c1nc(C2CC2)co1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
USP7 Q93009 1/20 0.36
KMO O15229 1/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HCRTR2 O43614 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
TMIGD3 P0DMS9 2/20 0.33
ADORA1 P30542 2/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL14959499 0.83 USP7 (0.36) POLBUSP7HCRTR2TMIGD3ADORA1
SCHEMBL11929984 0.79 TMIGD3 (0.40) USP7HCRTR2TMIGD3ADORA1
SCHEMBL164834 0.69
SCHEMBL18335237 0.69 CES1 (0.49) ALDH1A1KDM4E
SCHEMBL164833 0.69
SCHEMBL21009025 0.67
SCHEMBL3178231 0.67
SCHEMBL21695345 0.67
SCHEMBL1827015 0.67
SCHEMBL12984738 0.65 HCAR2 (0.41) KMOSMN1; SMN2HCRTR2HCAR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899296-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2008-03-19 EP claimed
WO-2006136924-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-12-28 WO claimed