SCHEMBL7645552

SCHEMBL7645552

O=C(CCCOc1ccc2cc[nH]c2c1)N1CCN(CCO)CC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.57
DRD3 P35462 4/20 0.57
PDE3B Q13370 12/20 0.51
PDE3A Q14432 12/20 0.51
LTA4H P09960 2/20 0.48
HTR1A P08908 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
P2RY12 Q9H244 1/20 0.45

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
SCHEMBL6015641 0.83 PDE3B (0.46) PDE3BPDE3AHTR1AHTR1DHTR1B
SCHEMBL4314654 0.73 MEN1 (0.58) DRD2DRD3PDE3BPDE3ALTA4H
SCHEMBL17384760 0.73 LTA4H (0.84) DRD2DRD3LTA4H
SCHEMBL9825397 0.69 DRD2 (0.62) DRD2DRD3HTR1A
SCHEMBL20765703 0.69 DRD3 (0.71) DRD2DRD3
SCHEMBL1374099 0.69 HRH3 (0.56) DRD2DRD3PDE3BPDE3A
SCHEMBL1374669 0.69 HDAC1 (0.67) DRD3PDE3BPDE3A
SCHEMBL11067813 0.68 PDE3B (0.68) PDE3BPDE3A
SCHEMBL13607015 0.68 HDAC1 (0.54) DRD3PDE3BPDE3A
SCHEMBL3794904 0.68 MEN1 (0.62) DRD2DRD3LTA4HHTR1AHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1181282-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP claimed
WO-2000075139-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-12-14 WO claimed