SCHEMBL7010237

SCHEMBL7010237

C[C@@H](Nc1ncc(CCOc2ccccc2)c(N)n1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 17/20 0.57
ADRA1D P25100 5/20 0.57
ADRA1A P35348 5/20 0.57
ADRA1B P35368 5/20 0.57
HTR2C P28335 2/20 0.49
PLK1 P53350 1/20 0.41

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
SCHEMBL4374462 0.93 HTR7 (0.59) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL4374847 0.87 HTR7 (0.42) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL7013050 0.84 HTR7 (0.53) HTR7ADRA1DADRA1AADRA1B
SCHEMBL7011497 0.82 ALDH1A1 (0.46) HTR7ADRA1DADRA1AADRA1BPLK1
SCHEMBL7014743 0.81 HTR7 (0.53) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL7098780 0.81 PLK1 (0.42) HTR7ADRA1DADRA1AADRA1BPLK1
SCHEMBL4374758 0.81 HTR7 (0.54) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL4379084 0.81 HTR7 (0.54) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL7009242 0.79 HTR7 (0.46) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL4375475 0.77 KMT2A (0.51) HTR7HTR2C

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