SCHEMBL5175286

SCHEMBL5175286

O=C1C2CCC(O)CC2C(=O)N1CCCN1CCN(c2ccccc2OCC(F)(F)F)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 12/20 0.55
ADRA1B P35368 11/20 0.55
ADRA1D P25100 10/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
DRD2 P14416 3/20 0.48
HTR1A P08908 1/20 0.48
HTR2A P28223 1/20 0.48
HTR7 P34969 1/20 0.48
HTR6 P50406 1/20 0.48
DRD3 P35462 2/20 0.46

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
Hydrochloric Acid SCHEMBL6213630 0.99 ADRA1A (0.54) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
SCHEMBL5176069 0.88 HTR1A (0.55) ADRA1AADRA1BADRA1DCYP3A4DRD2
Hydrochloric Acid SCHEMBL6407537 0.87 HTR1A (0.55) ADRA1AADRA1BADRA1DCYP3A4DRD2
SCHEMBL6212178 0.87 ADRA1A (0.56) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
SCHEMBL4528941 0.86 DRD2 (0.64) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL4520908 0.85 DRD2 (0.63) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
SCHEMBL4522586 0.84 HTR1A (0.51) ADRA1AADRA1BADRA1DCYP3A4DRD2
Hydrochloric Acid SCHEMBL6406164 0.84 ADRA1A (0.57) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
SCHEMBL6211445 0.83 DRD2 (0.52) ADRA1AADRA1BADRA1DCYP3A4DRD2
Hydrochloric Acid SCHEMBL4517673 0.83 HTR1A (0.51) DRD2HTR1AHTR2AHTR7HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1746998-A1 COMBINATION THERAPY FOR LOWER URINARY TRACT SYMPTOMS RANBAXY LABORATORIES, LTD. (IN) 2007-01-31 EP claimed
WO-2005092341-A1 COMBINATION THERAPY FOR LOWER URINARY TRACT SYMPTOMS RANBAXY LABORATORIES LIMITED (IN) 2005-10-06 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