SCHEMBL4964653

SCHEMBL4964653

O=C(OC(COc1ccc(Cl)cc1)Cn1ncnn1)N1CCCCC1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.42
DAGLA Q9Y4D2 9/20 0.40
ABHD6 Q9BV23 5/20 0.40
DAGLB Q8NCG7 6/20 0.40
LTA4H P09960 4/20 0.40
HSD11B1 P28845 1/20 0.38

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
SCHEMBL4962995 0.89 DAGLA (0.41) DAGLAABHD6DAGLBHSD11B1
SCHEMBL4964327 0.86 DRD4 (0.42) DRD4DAGLAABHD6DAGLBLTA4H
SCHEMBL4308692 0.84 DRD4 (0.52) DRD4
SCHEMBL4965210 0.75 DAGLA (0.40) DAGLAABHD6DAGLBHSD11B1
SCHEMBL4304641 0.74 CYP1A2 (0.45) LTA4H
SCHEMBL4304826 0.73 MEN1 (0.48) DRD4
SCHEMBL4960716 0.71 HCRTR1 (0.46)
SCHEMBL4962457 0.70 F2 (0.35)
SCHEMBL4314108 0.70 DRD4 (0.53) DRD4
SCHEMBL4962541 0.69 HRH3 (0.35)

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-1879873-A1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK Holdings Co., Ltd. (KR) 2008-01-23 EP disclosed
WO-2006112685-A1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK HOLDINGS CO., LTD. (KR) 2006-10-26 WO disclosed