SCHEMBL4962995

SCHEMBL4962995

O=C(OC(COc1ccccc1Cl)Cn1ncnn1)N1CCCCC1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 11/20 0.41
DAGLB Q8NCG7 8/20 0.41
ABHD6 Q9BV23 5/20 0.40
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
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
SCHEMBL4964653 0.89 DRD4 (0.42) DAGLADAGLBABHD6HSD11B1
SCHEMBL4965210 0.86 DAGLA (0.40) DAGLADAGLBABHD6KDM4EMEN1
SCHEMBL4304826 0.84 MEN1 (0.48) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4960742 0.79 ABCB1 (0.40) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4308023 0.77 CCR3 (0.41) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4311700 0.76 POLB (0.43) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4964327 0.75 DRD4 (0.42) DAGLADAGLBABHD6
SCHEMBL4308692 0.73 DRD4 (0.52) MEN1KMT2ASMN1; SMN2
SCHEMBL4962541 0.73 HRH3 (0.35)
SCHEMBL4965205 0.72 DAGLA (0.41) DAGLADAGLBABHD6HSD11B1

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