SCHEMBL4390992

SCHEMBL4390992

C[C@H](Nc1cc(NCCc2ccc(O)cc2)ncn1)c1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 14/20 0.84
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
OPRK1 P41145 1/20 0.46
EGFR P00533 3/20 0.44
GLI1 P08151 1/20 0.42
GLI2 P10070 1/20 0.42

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
SCHEMBL7010536 0.88 HTR7 (0.84) HTR7
SCHEMBL17560828 0.79 HTR7 (0.70) HTR7EGFR
SCHEMBL15131079 0.73 OPRK1 (0.65) MEN1KMT2AOPRK1EGFRGLI1
SCHEMBL13632558 0.72 HTR7 (1.00) HTR7
SCHEMBL4372674 0.71 NUDT1 (0.47) HTR7MEN1KMT2AOPRK1EGFR
SCHEMBL7006872 0.70 HTR7 (0.81) HTR7
SCHEMBL10964333 0.70 HTR7 (0.59) HTR7
SCHEMBL4375461 0.69 HTR7 (0.58) HTR7EGFR
SCHEMBL21593091 0.69 HTR7 (0.58) HTR7EGFR
SCHEMBL16343362 0.69 HTR7 (0.62) HTR7EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280781-B1 5-HT 7 RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2009-11-18 EP claimed