SCHEMBL25344779

SCHEMBL25344779

Nc1ccc(OCCC2CC2)cn1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.54
MCHR1 Q99705 2/20 0.49
MPO P05164 1/20 0.38
TPO P07202 1/20 0.38
EPX P11678 1/20 0.38
LPO P22079 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
IDO1 P14902 1/20 0.38
ACACB O00763 2/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
LNPEP Q9UIQ6 1/20 0.37
APP P05067 1/20 0.37
BACE1 P56817 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL9111641 0.82 PARP15 (0.49) MCHR1CHRNB2CHRNA4CYP4F2CYP4A11
SCHEMBL23634063 0.81 NCF1 (0.47) MPOTPOEPXLPO
SCHEMBL15918434 0.79 CHRNB2 (0.48) NFE2L2CHRNB2CHRNA4IDO1ACACB
SCHEMBL2562093 0.78 NFE2L2 (0.83) NFE2L2MCHR1ACACBAPP
SCHEMBL25396199 0.78 GPR119 (0.58) BACE1
SCHEMBL31132814 0.76 PARP10 (0.51) MCHR1ACACB
SCHEMBL23634060 0.76 NCF1 (0.56) MPOTPOEPXLPOAPP
SCHEMBL16838830 0.76 NFE2L2 (0.43) NFE2L2ACACBCYP4F2CYP4A11LNPEP
SCHEMBL28067029 0.75 PARP10 (0.53) NFE2L2MCHR1
SCHEMBL1920453 0.74 RAB9A (0.54) MCHR1MPOTPOEPXLPO

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-4225746-A1 MRGX2 ANTAGONISTS GlaxoSmithKline Intellectual Property Development Limited (GB) 2023-08-16 EP disclosed
WO-2022073904-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 WO disclosed