SCHEMBL6212337

SCHEMBL6212337

COC1=C(OC)CC2C(=O)N(CCCN3CCN(c4ccccc4OC(C)C)CC3)C(=O)C2C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.60
DRD3 P35462 3/20 0.60
ADRA1A P35348 7/20 0.57
ADRA1B P35368 7/20 0.57
ADRA1D P25100 6/20 0.57
HTR1A P08908 4/20 0.57
HTR7 P34969 3/20 0.57
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
ALOX12 P18054 1/20 0.57
HIF1A Q16665 1/20 0.57
HSD17B10 Q99714 1/20 0.57
KDM4E B2RXH2 1/20 0.56
GLA P06280 1/20 0.56
HPGD P15428 1/20 0.56
HTR2A P28223 1/20 0.56
HTR6 P50406 1/20 0.56

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
SCHEMBL6110726 0.91 ADRA1A (0.56) DRD2DRD3ADRA1AADRA1BADRA1D
Hydrochloric Acid SCHEMBL6110922 0.90 ADRA1A (0.55) DRD2DRD3ADRA1AADRA1BADRA1D
SCHEMBL4874588 0.88 ADRA1A (0.56) DRD2DRD3ADRA1AADRA1BADRA1D
SCHEMBL6211200 0.88 DRD2 (0.55) DRD2DRD3ADRA1AADRA1BADRA1D
SCHEMBL4527650 0.88 HTR1A (0.56) DRD2DRD3ADRA1AADRA1BADRA1D
SCHEMBL6111886 0.88 ADRA1A (0.55) DRD2DRD3ADRA1AADRA1BADRA1D
Hydrochloric Acid SCHEMBL4869554 0.88 ADRA1A (0.55) DRD2DRD3ADRA1AADRA1BADRA1D
Hydrochloric Acid SCHEMBL6404518 0.87 DRD2 (0.54) DRD2DRD3ADRA1AADRA1BADRA1D
SCHEMBL5812841 0.87 ADRA1A (0.54) DRD2DRD3ADRA1AADRA1BADRA1D
Hydrochloric Acid SCHEMBL6111788 0.87 ADRA1A (0.54) DRD2DRD3ADRA1AADRA1BADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1495000-A4 ALPHA, OMEGA-DICARBOXIMIDE DERIVATIVES AS USEFUL URO-SELECTIVE A1A ADRENOCEPTOR BLOCKERS RANBAXY LAB LTD (IN) 2005-10-05 EP claimed
EP-1495000-A1 ALPHA, OMEGA-DICARBOXIMIDE DERIVATIVES AS USEFUL URO-SELECTIVE A1A ADRENOCEPTOR BLOCKERS RANBAXY LABORATORIES, LTD. (IN) 2005-01-12 EP claimed
WO-2003084928-A1 ALPHA, OMEGA-DICARBOXIMIDE DERIVATIVES AS USEFUL URO-SELECTIVE Α1Α ADRENOCEPTOR BLOCKERS RANBAXY LABORATORIES LIMITED (IN) 2003-10-16 WO claimed
EP-1495000-A4 ALPHA, OMEGA-DICARBOXIMIDE DERIVATIVES AS USEFUL URO-SELECTIVE A1A ADRENOCEPTOR BLOCKERS RANBAXY LAB LTD (IN) 2005-10-05 EP disclosed
EP-1495000-A1 ALPHA, OMEGA-DICARBOXIMIDE DERIVATIVES AS USEFUL URO-SELECTIVE A1A ADRENOCEPTOR BLOCKERS RANBAXY LABORATORIES, LTD. (IN) 2005-01-12 EP disclosed
WO-2003084928-A1 ALPHA, OMEGA-DICARBOXIMIDE DERIVATIVES AS USEFUL URO-SELECTIVE Α1Α ADRENOCEPTOR BLOCKERS RANBAXY LABORATORIES LIMITED (IN) 2003-10-16 WO disclosed