SCHEMBL30938552

SCHEMBL30938552

CCCCCCCCCCCC1CCNC(C(N)=O)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.58
SLC6A3 Q01959 1/20 0.58
PRCP P42785 3/20 0.48
HTR2C P28335 1/20 0.44
ARG1 P05089 1/20 0.43
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38

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
SCHEMBL11046478 0.94 DRD3 (0.51) DRD3SLC6A3PRCPHTR2CARG1
SCHEMBL30887307 0.87 ARG1 (0.47) DRD3SLC6A3PRCPARG1MEN1
SCHEMBL27826683 0.86 DRD3 (0.60) DRD3SLC6A3PRCPHTR2CARG1
SCHEMBL28637907 0.86 DRD3 (0.60) DRD3SLC6A3PRCPHTR2CARG1
SCHEMBL1567292 0.84 ARG1 (0.60) DRD3SLC6A3PRCPARG1MEN1
SCHEMBL9811629 0.80 GRIN2D (0.44) DRD3SLC6A3PRCPARG1MEN1
SCHEMBL5515581 0.80 ARG1 (0.62) DRD3SLC6A3PRCPARG1MEN1
SCHEMBL3132033 0.78 ARG1 (0.47) DRD3SLC6A3ARG1MEN1ALDH1A1
SCHEMBL18892593 0.77 ARG1 (0.44) DRD3SLC6A3ARG1MEN1ALDH1A1
SCHEMBL18892648 0.76 ARG1 (0.46) ARG1MEN1ALDH1A1CYP1A2THRB

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-2024100285-A1 TREATMENT OF A COGNITIVE DISORDER WITH AN AGENT THAT INCREASES THE EXCITABILITY OF THE CLAUSTRUM UNIVERSITÉ DE GENÈVE (CH) 2024-05-16 WO claimed