SCHEMBL25515014

SCHEMBL25515014

CCCN1CCN(c2cnc(C)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.46
SIGMAR1 Q99720 1/20 0.46
DRD3 P35462 4/20 0.40
DRD1 P21728 3/20 0.40
DRD5 P21918 3/20 0.40
HTR1A P08908 1/20 0.40
DRD4 P21917 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR7 P34969 1/20 0.40
KCNH2 Q12809 1/20 0.39
GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL25515015 0.86 GAA (0.48) KCNH2GPR119
SCHEMBL14872319 0.85 GAA (0.48) DRD2DRD3DRD1DRD5HTR1A
SCHEMBL21456316 0.82 MAP4K4 (0.48) DRD2DRD3DRD1DRD5HTR1A
SCHEMBL25515997 0.82 HRH3 (0.39) DRD2DRD3DRD1DRD5HTR1A
SCHEMBL81679 0.80 GAA (0.47) KCNH2GPR119
SCHEMBL15496957 0.80 DRD2 (0.60) DRD2SIGMAR1DRD3DRD1DRD5
SCHEMBL81828 0.80 HTR3A (0.52) KCNH2GPR119
SCHEMBL24654470 0.79 RET (0.45) DRD2DRD3DRD1DRD5HTR1A
SCHEMBL31140251 0.78 HRH3 (0.55) DRD2DRD3HTR1A
SCHEMBL23374607 0.78 HRH3 (0.55) DRD2DRD3HTR1A

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-2023078813-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS MERCK PATENT GMBH (DE) 2023-05-11 WO disclosed