SCHEMBL24522282

SCHEMBL24522282

CC1CCCN1c1cccc(I)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.44
AR P10275 3/20 0.40
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
KMT2A Q03164 1/20 0.37
PBRM1 Q86U86 6/20 0.36
SMARCA2 P51531 5/20 0.36
SMARCA4 P51532 4/20 0.36
NR1I2 O75469 2/20 0.36
NR1H2 P55055 1/20 0.36
GFER P55789 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
SLC18A3 Q16572 1/20 0.35
JAK3 P52333 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL13060129 0.81 KMT2A (0.54) PDK2KMT2AGFERHRH3LMNA
SCHEMBL16378121 0.81 KMT2A (0.54) PDK2KMT2AGFERHRH3LMNA
SCHEMBL27865371 0.80 OPRM1 (0.49) PDK2PBRM1SMARCA2SMARCA4NR1I2
SCHEMBL12802636 0.80 ADRA2C (0.49) PDK2ARKMT2APBRM1SMARCA2
SCHEMBL12802638 0.80 ADRA2C (0.49) PDK2ARKMT2APBRM1SMARCA2
SCHEMBL15160573 0.79 HRH3 (0.55) KMT2AGFERHRH3HTTSMN1; SMN2
SCHEMBL8284787 0.78 MAOA (0.54) PDK2ARMAOAMAOBKMT2A
SCHEMBL3535701 0.78 MAOA (0.54) PDK2ARMAOAMAOBKMT2A
SCHEMBL17083432 0.78 PDK2 (0.45) PDK2ARMAOAMAOBKMT2A
SCHEMBL12160691 0.78 NOTUM (0.47) PDK2ARMAOAMAOBKMT2A

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
EP-4015504-A1 C5AR ANTAGONISTS ChemoCentryx, Inc. (US) 2022-06-22 EP disclosed