SCHEMBL7962824

SCHEMBL7962824

N#Cc1ccc2c(c1)CCN(CCCCNC(=O)C(F)(F)F)C2

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 14/20 0.58
DRD2 P14416 14/20 0.58
TMEM97 Q5BJF2 1/20 0.53
DRD4 P21917 2/20 0.52
OPRM1 P35372 2/20 0.52
HTR1D P28221 4/20 0.51
HTR1B P28222 2/20 0.51
HRH1 P35367 2/20 0.47
HTR1A P08908 1/20 0.47
HTR2A P28223 1/20 0.47
SLC6A4 P31645 1/20 0.47
HTR7 P34969 1/20 0.47
HTR2B P41595 1/20 0.47
KCNH2 Q12809 1/20 0.46
NAMPT P43490 2/20 0.45

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
SCHEMBL7854476 0.96 DRD3 (0.58) DRD3DRD2TMEM97DRD4OPRM1
SCHEMBL7979139 0.84 DRD3 (0.49) DRD3DRD2TMEM97DRD4
SCHEMBL7976693 0.84 DRD3 (0.51) DRD3DRD2TMEM97DRD4
SCHEMBL7843315 0.82 DRD3 (0.63) DRD3DRD2HRH1HTR1AHTR2A
SCHEMBL7976536 0.81 DRD3 (0.52) DRD3DRD2DRD4
SCHEMBL6984464 0.80 DRD3 (0.52) DRD3DRD2DRD4
SCHEMBL7843695 0.78 DRD3 (0.61) DRD3DRD2DRD4
SCHEMBL6983214 0.77 DRD2 (0.57) DRD3DRD2
SCHEMBL7976739 0.76 DRD3 (0.74) DRD3DRD2TMEM97DRD4OPRM1
SCHEMBL6979746 0.75 DRD3 (0.74) DRD3DRD2TMEM97DRD4OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6274593-B1 TREATING PSYCHOLOGICAL DISORDERS, SCHIZOPHRENIA, AND PARKINSON*S DISEASE SMITHKLINE BEECHAM P.L.C. (GB) 2001-08-14 US disclosed
EP-0980357-A1 SUBSTITUTED TETRAHYDRO ISOQUINOLINES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2000-02-23 EP disclosed
WO-1998050363-A1 SUBSTITUTED TETRAHYDRO ISOQUINOLINES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed