SCHEMBL26944367

SCHEMBL26944367

Cc1ccc(N2CCN(C)C2=O)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.56
KCNH2 Q12809 1/20 0.56
HRH3 Q9Y5N1 2/20 0.43
ELANE P08246 1/20 0.43
P2RX7 Q99572 4/20 0.39
PIM1 P11309 1/20 0.38
GRM4 Q14833 1/20 0.38
DRD2 P14416 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC1 Q13547 1/20 0.36
SCN9A Q15858 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 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
SCHEMBL31647196 0.82 HRH3 (0.42) DRD3KCNH2HRH3CHRNB2CHRNA4
SCHEMBL27250767 0.78 DRD3 (0.51) DRD3KCNH2ELANEP2RX7PIM1
SCHEMBL14490258 0.78 DRD3 (0.51) DRD3KCNH2ELANEP2RX7GRM4
SCHEMBL15448368 0.77 DRD2 (0.55) DRD3KCNH2HRH3ELANEDRD2
SCHEMBL27774657 0.77 DRD2 (0.58) DRD3ELANEPIM1DRD2MEN1
SCHEMBL4395950 0.75 HRH3 (0.35) DRD3KCNH2HRH3PIM1DRD2
SCHEMBL26944374 0.74 OPRM1 (0.43) DRD3KCNH2ELANEPIM1
SCHEMBL1727049 0.73 AKR1C3 (0.52) DRD3KCNH2HRH3NPC1RAB9A
SCHEMBL14490582 0.73 DRD3 (0.44) DRD3KCNH2ELANEP2RX7DRD2
SCHEMBL3577171 0.73 MAPT (0.47) DRD3HRH3DRD2MEN1NPC1

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-2023235925-A1 COMPOUNDS WITH MERTK ACTIVITY MONASH UNIVERSITY (AU) 2023-12-14 WO disclosed