SCHEMBL7002791

SCHEMBL7002791

CCCCCOC(=O)C(Cc1ccccc1)NC=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 1/20 0.52
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
CTSK P43235 4/20 0.46
CNR2 P34972 1/20 0.46
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
EPHX1 P07099 1/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
BIRC2 Q13490 1/20 0.45
FAAH O00519 2/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 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
SCHEMBL7002431 0.99 DAGLA (0.54) DAGLAMEN1KMT2ATAAR1CTSK
SCHEMBL6946568 0.96 DAGLA (0.51) DAGLAMEN1KMT2ATAAR1CTSK
SCHEMBL6952364 0.91 MEN1 (0.50) DAGLAMEN1KMT2ATAAR1TSHR
SCHEMBL23541614 0.85 TSHR (0.49) TSHRTP53CYP3A4MAPK1LMNA
SCHEMBL7882117 0.85 MMP8 (0.55) DAGLAMEN1KMT2ATAAR1TP53
SCHEMBL6952367 0.85 MMP8 (0.55) DAGLAMEN1KMT2ATAAR1TP53
SCHEMBL12705747 0.84 TSHR (0.50) TSHRTP53CYP3A4MAPK1LMNA
SCHEMBL25529014 0.84 TSHR (0.50) TSHRTP53CYP3A4MAPK1LMNA
SCHEMBL27948430 0.84 TSHR (0.50) CNR2TSHRTP53CYP3A4MAPK1
SCHEMBL12083570 0.82 DAGLA (0.60) DAGLACTSKBIRC2CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1081149-B1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2003-04-02 EP disclosed
US-6372749-B1 PHARMACOLOGICAL EFFECTS SUCH AS ANALGESIC ACTION, INHIBITORY EFFECT ON NITROGEN MONOXIDE SYNTHETASE AND THE LIKE AND ARE USEFUL AS ANALGESICS. OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2002-04-16 US disclosed
EP-1081149-A1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-03-07 EP disclosed