SCHEMBL27673302

SCHEMBL27673302

O=C(NC1CCN(C(=O)O)CC1)c1cc2c(Br)cccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.52
POLB P06746 1/20 0.46
FLT3 P36888 1/20 0.42
RHEB Q15382 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41

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
SCHEMBL914286 0.84 PARP1 (0.54) HRH4
SCHEMBL914665 0.83 HRH4 (0.48) HRH4RHEB
SCHEMBL914907 0.83 KDM4E (0.49) HRH4RHEB
SCHEMBL916158 0.83 KDM4E (0.49) HRH4RHEB
SCHEMBL28762593 0.79 KMT2A (0.44) HRH4POLBRHEBGRIN2DGRIN3B
SCHEMBL17098873 0.78 HRH4 (0.43) HRH4FLT3
SCHEMBL3281633 0.77 POLB (0.43) POLB
SCHEMBL6966095 0.77 HRH4 (0.43) HRH4RHEB
SCHEMBL914210 0.77 HRH4 (0.43) HRH4RHEB
SCHEMBL27653275 0.75 SRD5A2 (0.47) POLBRHEBGRIN2DGRIN3BGRIN1

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
CN-102391251-A Chemokine receptor antagonists NOVARTIS AG 2012-03-28 CN disclosed
CN-1946713-A Chemokine receptor antagonists NOVARTIS AG (CH) 2007-04-11 CN disclosed