SCHEMBL4625323

SCHEMBL4625323

COC1=CC[CH]C=C1N1CCN(C)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
HRH4 Q9H3N8 4/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HTR1A P08908 1/20 0.31
DRD4 P21917 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ACHE P22303 1/20 0.31
BACE1 P56817 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
ADRA2C P18825 1/20 0.31
GFER P55789 1/20 0.31

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
SCHEMBL4489461 0.86 DRD2 (0.38) DRD2DRD3HRH4KMT2AMEN1
SCHEMBL1385856 0.73 ADRA2C (0.33) DRD2DRD3HRH4KMT2ADRD4
SCHEMBL7521434 0.70 QDPR (0.37) DRD2DRD4
SCHEMBL634177 0.68
SCHEMBL2481854 0.68 CHKA (0.37) DRD2HRH4KMT2ADRD4KDM4E
SCHEMBL2309452 0.67
SCHEMBL8522467 0.66 SIRT6 (0.44) HRH4ALDH1A1MAPT
SCHEMBL5318359 0.65
SCHEMBL17949496 0.64 DRD2 (0.33) DRD2DRD3DRD4
SCHEMBL6643285 0.64 KDR (0.35) DRD2DRD4ACHE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682076-A4 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF FULCRUM PHARMACEUTICALS INC (US) 2008-02-06 EP claimed
EP-1682076-A2 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF Fulcrum Pharmaceuticals, Inc. (US) 2006-07-26 EP claimed
WO-2005041904-A2 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF FULCRUM PHARMACEUTICALS, INC. (US) 2005-05-12 WO claimed