SCHEMBL9477017

SCHEMBL9477017

c1ccc2c(c1)CCNC2C1CCCO1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRCP P42785 8/20 0.59
GAA P10253 1/20 0.44
SLC22A1 O15245 1/20 0.41
RECQL P46063 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.39
OPRM1 P35372 2/20 0.39

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
SCHEMBL9639284 1.00 PRCP (0.59) PRCPGAASLC22A1RECQLTSHR
SCHEMBL9477025 1.00 PRCP (0.59) PRCPGAASLC22A1RECQLTSHR
SCHEMBL31513971 0.84 PRCP (0.50) PRCPGAASLC22A1RECQL
SCHEMBL31137587 0.84 PRCP (0.50) PRCPGAASLC22A1RECQL
SCHEMBL11638682 0.78 PRCP (0.46) PRCP
SCHEMBL24017043 0.78 PRCP (0.70) PRCPGAASLC22A1RECQLTSHR
SCHEMBL30368634 0.78 PRCP (0.70) PRCPGAASLC22A1RECQLTSHR
SCHEMBL16799768 0.78 PRCP (0.70) PRCPGAASLC22A1RECQLTSHR
SCHEMBL3865487 0.76 PRCP (0.97) PRCPGAASLC22A1RECQLTSHR
SCHEMBL28083503 0.76 PRCP (0.90) PRCPGAASLC22A1RECQLTSHR

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
US-5210088-A Treating pain with tetrahydroisoquinoline derivatives JOHN WYETH & BROTHER, LIMITED (GB) 1993-05-11 US claimed
US-5118690-A PHARMACEUTICAL TETRAHYDROISOQUINOLINES JOHN WYETH & BROTHER LIMITED (GB) 1992-06-02 US claimed
EP-0419247-A2 Selective GABA antagonists, especially isoquinoline derivatives, and their use for treating CNS disorders JOHN WYETH & BROTHER LIMITED (GB) 1991-03-27 EP claimed
US-5210088-A Treating pain with tetrahydroisoquinoline derivatives JOHN WYETH & BROTHER, LIMITED (GB) 1993-05-11 US disclosed
US-5118690-A PHARMACEUTICAL TETRAHYDROISOQUINOLINES JOHN WYETH & BROTHER LIMITED (GB) 1992-06-02 US disclosed
EP-0419247-A2 Selective GABA antagonists, especially isoquinoline derivatives, and their use for treating CNS disorders JOHN WYETH & BROTHER LIMITED (GB) 1991-03-27 EP disclosed