SCHEMBL6256498

SCHEMBL6256498

Cc1cccc2c1C(c1ccccc1Cl)N(C)CC2

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.49
DRD2 P14416 11/20 0.45
HTR1A P08908 5/20 0.45
DRD1 P21728 3/20 0.43
ADRA2A P08913 2/20 0.42
ADRA1A P35348 2/20 0.42
CYP2D6 P10635 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1B P35368 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40

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
SCHEMBL5249004 0.79 PRCP (0.47) PRCPDRD2HTR1ADRD1CYP2D6
SCHEMBL6256492 0.77 PRCP (0.44) PRCPDRD2HTR1ADRD1CYP2D6
SCHEMBL5283260 0.75 PRCP (0.49) PRCPDRD2HTR1ADRD1ADRA2A
SCHEMBL5298787 0.74 KDM4E (0.59) PRCPDRD2HTR1ADRD1
SCHEMBL5246787 0.73 KDM4E (0.57) PRCPDRD2HTR1ACYP2D6HTR7
SCHEMBL11948854 0.71 PRCP (0.55) PRCPDRD2HTR1ADRD1ADRA1A
SCHEMBL4315580 0.70 DRD2 (0.43) PRCPDRD2HTR1ADRD1ADRA2A
SCHEMBL5297369 0.70 PRCP (0.43) PRCPDRD2HTR1A
SCHEMBL5244031 0.70 DRD2 (0.46) PRCPDRD2HTR1ACYP2D6HTR7
SCHEMBL4303501 0.69 DRD2 (0.41) PRCPDRD2HTR1ADRD1HTR2A

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-1572658-A1 THE USE OF 4-PHENYL-SUBSTITUTED TETRAHYDROISOQUINOLINES IN THE TREATMENT OF PAIN, MIGRAINE HEADACHES AND URINARY INCONTINENCE Pharmacia & Upjohn Company LLC (US) 2005-09-14 EP disclosed
WO-2004050628-A1 THE USE OF 4-PHENYL-SUBSTITUTED TETRAHYDROISOQUINOLINES IN THE TREATMENT OF PAIN, MIGRAINE HEADACHES AND URINARY INCONTINENCE PHARMACIA & UPJOHN COMPANY LLC (US) 2004-06-17 WO disclosed