SCHEMBL4965205

SCHEMBL4965205

O=C(OC(Cn1cnnn1)c1ccccc1Cl)N1CCCCC1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 13/20 0.41
ABHD6 Q9BV23 7/20 0.41
DAGLB Q8NCG7 6/20 0.39
HSD11B1 P28845 1/20 0.38
DPP4 P27487 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
SCHEMBL4965210 0.84 DAGLA (0.40) DAGLAABHD6DAGLBHSD11B1
SCHEMBL4309159 0.83 CYP2C9 (0.47)
SCHEMBL4964327 0.81 DRD4 (0.42) DAGLAABHD6DAGLB
SCHEMBL4312797 0.75 ALDH1A1 (0.40)
SCHEMBL4312837 0.75 CCR3 (0.42)
SCHEMBL4310318 0.74 AVPR2 (0.40)
SCHEMBL13667365 0.74 AVPR2 (0.40)
SCHEMBL13667364 0.74 AVPR2 (0.40)
SCHEMBL4962541 0.73 HRH3 (0.35)
SCHEMBL4962995 0.72 DAGLA (0.41) DAGLAABHD6DAGLBHSD11B1

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