SCHEMBL24650451

SCHEMBL24650451

NC1Cc2cccc(OCCCCO)c2C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.46
DRD3 P35462 3/20 0.46
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
S1PR5 Q9H228 2/20 0.39
SLC18A3 Q16572 4/20 0.39
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRA1A P35348 1/20 0.36
RECQL P46063 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL24650449 0.80 LMNA (0.47) DRD2DRD3S1PR5SLC18A3LMNA
SCHEMBL24650453 0.79 DRD2 (0.46) DRD2DRD3HTR1AHTR1DHTR1B
SCHEMBL24650450 0.77 DRD2 (0.47) DRD2DRD3S1PR5SLC18A3LMNA
SCHEMBL24650456 0.77 PDE4A (0.42) DRD2DRD3HTR1AHTR1DHTR1B
SCHEMBL24650454 0.77 PTGIR (0.49) POLB
SCHEMBL24650455 0.75 DRD2 (0.42) DRD2DRD3HTR1AHTR1DHTR1B
SCHEMBL24650452 0.73 DRD2 (0.46) DRD2DRD3LMNAADRB2ADRB1
SCHEMBL385443 0.73 DRD2 (0.73) DRD2DRD3HTR1AADRA1A
SCHEMBL31324598 0.73 DRD2 (0.73) DRD2DRD3HTR1AADRA1A
SCHEMBL24650447 0.71 USP2 (0.45) DRD2DRD3LMNAPOLBMEN1

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-2022238507-A1 THERAPEUTIC AMINOINDANE COMPOUNDS AND COMPOSITIONS AWAKN LS EUROPE HOLDINGS LIMITED (IE) 2022-11-17 WO disclosed