SCHEMBL7014065

SCHEMBL7014065

Cc1nc(N[C@@H](C)c2ccccc2)nc(N)c1CCc1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 11/20 0.47
APP P05067 1/20 0.42
HTR2C P28335 2/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
HTR6 P50406 1/20 0.40
PLK1 P53350 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GRK6 P43250 1/20 0.39
LDHA P00338 1/20 0.37

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
SCHEMBL7007980 0.87 HTR7 (0.45) HTR7APPADRA1DADRA1AADRA1B
SCHEMBL7007978 0.87 HTR7 (0.45) HTR7APPADRA1DADRA1AADRA1B
SCHEMBL7006322 0.85 MAPK14 (0.44) HTR7ADRA1DADRA1AADRA1BPLK1
SCHEMBL7009364 0.83 HTR7 (0.49) HTR7APPHTR2CADRA1DADRA1A
SCHEMBL4373121 0.83 TLR8 (0.48) HTR7APPHTR2CADRA1DADRA1A
SCHEMBL7006329 0.82 F7 (0.44) HTR7MEN1KMT2ALDHA
SCHEMBL7007986 0.81 HTR7 (0.43) HTR7ADRA1DADRA1AADRA1BPLK1
SCHEMBL7018081 0.80 ALDH1A1 (0.46) HTR7APPHTR2CADRA1DADRA1A
SCHEMBL7014716 0.79 ALDH1A1 (0.41) HTR7ADRA1DADRA1AADRA1BMEN1
SCHEMBL4375469 0.77 HTR7 (0.78) HTR7HTR2CADRA1DADRA1AADRA1B

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
EP-1280781-A4 5-HT 7 RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2003-08-06 EP disclosed
EP-1280781-A1 5-HT 7 RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2003-02-05 EP disclosed
WO-2001085701-A1 5-HT7 RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-15 WO disclosed