SCHEMBL25817016

SCHEMBL25817016

CCCCCC(=O)NCCCNC(=O)CN(C)CC(=O)NCCCNC(=O)C1(C)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.50
FAAH O00519 4/20 0.46
CASP2 P42575 1/20 0.43
NAAA Q02083 1/20 0.41
EPHX2 P34913 3/20 0.40
SELP P16109 1/20 0.40
SLC6A5 Q9Y345 2/20 0.39
CNR1 P21554 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LPAR1 Q92633 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
SCHEMBL25837121 0.89 CYP3A4 (0.43) DNM1
SCHEMBL25817012 0.86 SMN1; SMN2 (0.42) CASP2
SCHEMBL25837045 0.86 DNM1 (0.56) DNM1FAAHCASP2NAAAEPHX2
SCHEMBL25817163 0.83 MEN1 (0.35)
SCHEMBL3427647 0.78 SPHK1 (0.54) CASP2NAAA
SCHEMBL19540784 0.76 CASP2 (0.59) DNM1FAAHCASP2NAAA
SCHEMBL14577303 0.74 FAAH (0.74) DNM1FAAHCASP2NAAAEPHX2
SCHEMBL14576787 0.73 FAAH (0.78) DNM1FAAHCASP2NAAAEPHX2
SCHEMBL14577397 0.73 FAAH (0.78) DNM1FAAHCASP2NAAAEPHX2
SCHEMBL14577236 0.73 FAAH (0.78) DNM1FAAHCASP2NAAAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023125806-A1 CONJUGATE FOR PREVENTING AND TREATING VIRAL INFECTIONS AND USE THEREOF 苏州爱科百发生物医药技术有限公司 2023-07-06 WO disclosed