SCHEMBL7002431

SCHEMBL7002431

CCCCCCOC(=O)C(Cc1ccccc1)NC=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 1/20 0.54
TSHR P16473 2/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
FAAH O00519 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
CTSK P43235 1/20 0.46
CNR2 P34972 1/20 0.45
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 1/20 0.44
EPHX1 P07099 1/20 0.44
BIRC2 Q13490 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
SCHEMBL7002791 0.99 DAGLA (0.52) DAGLATSHRLMNAALDH1A1FAAH
SCHEMBL6946568 0.95 DAGLA (0.51) DAGLATSHRALDH1A1MEN1KMT2A
SCHEMBL6952364 0.89 MEN1 (0.50) DAGLATSHRLMNAALDH1A1MEN1
SCHEMBL12705747 0.85 TSHR (0.50) TSHRLMNAALDH1A1NPC1RAB9A
SCHEMBL25529014 0.85 TSHR (0.50) TSHRLMNAALDH1A1NPC1RAB9A
SCHEMBL27948430 0.85 TSHR (0.50) TSHRLMNAALDH1A1NPC1RAB9A
SCHEMBL6952367 0.84 MMP8 (0.55) DAGLAALDH1A1RAB9AMEN1KMT2A
SCHEMBL7882117 0.84 MMP8 (0.55) DAGLAALDH1A1RAB9AMEN1KMT2A
SCHEMBL28848015 0.83 BCHE (0.48) TSHRLMNAALDH1A1NPC1RAB9A
SCHEMBL11676193 0.83 TACR1 (0.58) ALDH1A1MEN1KMT2ACTSKCNR2

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