SCHEMBL5284097

SCHEMBL5284097

c1ccc(C[C@@H]2NCCc3ccccc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRCP P42785 4/20 1.00
SLC22A1 O15245 1/20 1.00
ADRB2 P07550 1/20 0.66
KDM1A O60341 2/20 0.54
GAA P10253 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
OPRM1 P35372 1/20 0.54
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50

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
SCHEMBL4160731 1.00 PRCP (1.00) PRCPSLC22A1ADRB2KDM1AGAA
SCHEMBL29768314 1.00 PRCP (1.00) PRCPSLC22A1ADRB2KDM1AGAA
SCHEMBL5812041 1.00 PRCP (1.00) PRCPSLC22A1ADRB2KDM1AGAA
Hydrochloric Acid SCHEMBL8823234 0.98 PRCP (0.97) PRCPSLC22A1ADRB2KDM1AGAA
Water SCHEMBL28203568 0.98 PRCP (0.97) PRCPSLC22A1ADRB2KDM1AGAA
Urea SCHEMBL28457637 0.91 PRCP (0.83) PRCPSLC22A1ADRB2KDM1AGAA
SCHEMBL10728169 0.87 PRCP (0.77) PRCPSLC22A1ADRB2KDM1AGAA
SCHEMBL9411161 0.87 PRCP (0.77) PRCPSLC22A1ADRB2KDM1AOPRM1
SCHEMBL10728525 0.86 PRCP (0.74) PRCPSLC22A1ADRB2KDM1ASMN1; SMN2
SCHEMBL12859659 0.84 PRCP (0.71) PRCPSLC22A1KDM4EOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0154035-B1 S-TETRAHYDROPROTOBERBERINOXIDASE, PROCESS FOR ITS PREPARATION AND ITS USE Consortium für elektrochemische Industrie GmbH (DE) 1990-07-25 EP claimed
US-4657861-A S-tetrahydroprotoberberineoxidase, process for producing the same and use thereof CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1987-04-14 US claimed
EP-1866418-A2 MODULATING PLANT ALKALOIDS Ceres Inc. (US) 2007-12-19 EP disclosed
WO-2006113481-A1 SECONDARY METABOLITE PRODUCTION VIA MANIPULATION OF GENOME METHYLATION CERES INC. (US) 2006-10-26 WO disclosed
WO-2006091676-A2 MODULATING PLANT ALKALOIDS CERES INC. (US) 2006-08-31 WO disclosed
EP-0154035-B1 S-TETRAHYDROPROTOBERBERINOXIDASE, PROCESS FOR ITS PREPARATION AND ITS USE Consortium für elektrochemische Industrie GmbH (DE) 1990-07-25 EP disclosed
US-4657861-A S-tetrahydroprotoberberineoxidase, process for producing the same and use thereof CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1987-04-14 US disclosed
US-4657861-A S-tetrahydroprotoberberineoxidase, process for producing the same and use thereof CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1987-04-14 US disclosed
EP-0154035-A2 S-tetrahydroprotoberberinoxidase, process for its preparation and its use Consortium für elektrochemische Industrie GmbH (DE) 1985-09-11 EP disclosed
EP-0154035-A2 S-tetrahydroprotoberberinoxidase, process for its preparation and its use Consortium für elektrochemische Industrie GmbH (DE) 1985-09-11 EP disclosed