SCHEMBL4540550

SCHEMBL4540550

CC(Nc1ccnc(NCCc2ccccc2F)n1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 19/20 0.73
ADRA1D P25100 4/20 0.67
ADRA1A P35348 4/20 0.67
ADRA1B P35368 4/20 0.67
HTR2C P28335 4/20 0.55
DRD2 P14416 1/20 0.43

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
SCHEMBL7005317 0.84 HTR7 (1.00) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL4380313 0.81 HTR7 (0.76) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL4382987 0.79 HTR7 (0.83) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL4378140 0.78 HTR7 (0.69) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL7006872 0.78 HTR7 (0.81) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL7011314 0.78 HTR7 (1.00) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL7006812 0.78 HTR7 (1.00) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL7012708 0.76 HTR7 (0.67) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL4376845 0.75 HTR7 (0.76) HTR7ADRA1DADRA1AADRA1BHTR2C
SCHEMBL7169972 0.73 HTR7 (0.62) HTR7ADRA1DADRA1AADRA1BHTR2C

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 disclosed