SCHEMBL8634183

SCHEMBL8634183

COc1ccccc1N1CCN(c2ccncc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.63
DRD3 P35462 3/20 0.63
LMNA P02545 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
SLC2A1 P11166 1/20 0.58
SLC2A2 P11168 1/20 0.58
SLC2A3 P11169 1/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
HTR3E A5X5Y0 1/20 0.57
HTR3B O95264 1/20 0.57
ADRB1 P08588 1/20 0.57
CYP2C19 P33261 1/20 0.57
HTR3A P46098 1/20 0.57
HTR6 P50406 1/20 0.57
HTR3D Q70Z44 1/20 0.57
HTR3C Q8WXA8 1/20 0.57
SIGMAR1 Q99720 1/20 0.57

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
SCHEMBL22495305 0.82 DRD2 (0.65) DRD2DRD3LMNAL3MBTL1HTR3E
SCHEMBL10660538 0.81 DRD2 (0.63) DRD2DRD3LMNAL3MBTL1HTR3E
SCHEMBL9035759 0.79 ADRA1A (0.80) DRD2DRD3HTR1AADRA1A
SCHEMBL327835 0.78 DRD2 (1.00) DRD2DRD3LMNAHTR3EHTR3B
SCHEMBL30407688 0.77 DRD2 (0.72) DRD2DRD3LMNAL3MBTL1HTR3E
SCHEMBL3165674 0.77 DRD2 (0.72) DRD2DRD3LMNAHTR3EHTR3B
SCHEMBL8634780 0.77 SMN1; SMN2 (0.48) DRD2DRD3LMNAL3MBTL1SLC2A1
SCHEMBL15819139 0.77 NTSR1 (0.50) DRD2DRD3LMNAL3MBTL1SLC2A1
Phenylpiperazine SCHEMBL3440604 0.76 HTR3A (0.84) DRD2DRD3LMNAHTR3EHTR3B
SCHEMBL217093 0.76 DRD2 (0.66) DRD2DRD3LMNAL3MBTL1HTR3E

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
US-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed
US-5750754-A TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS ZENECA LIMITED (GB) 1998-05-12 US disclosed
US-5728701-A INHIBIT PLATELET AGGREGATION ZENECA LIMITED (GB) 1998-03-17 US disclosed