SCHEMBL5596994

SCHEMBL5596994

O=C(O)N1CCC(N2CCc3cncc4c(Br)ccc2c34)C1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 5/20 0.33
ADRA1A P35348 2/20 0.31
L3MBTL4 Q8NA19 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM5A P29375 1/20 0.31
DPP4 P27487 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL5596990 0.85 USP30 (0.40)
SCHEMBL5596372 0.81 FPR2 (0.41)
SCHEMBL5596376 0.80 FPR2 (0.44)
SCHEMBL5596675 0.78 HTR2A (0.33) HTR2AHTR2CHTR2B
SCHEMBL5597009 0.78 HTR2C (0.41) ADRA1AHTR2AHTR2CHTR2B
SCHEMBL5596951 0.76 HTR2C (0.50) HTR2AHTR2CHTR2B
SCHEMBL2674713 0.75 DPP4 (0.48) L3MBTL4L3MBTL3L3MBTL1DPP4
SCHEMBL5596971 0.74 HTR2C (0.48) HTR2AHTR2CHTR2B
SCHEMBL5596759 0.73 HTR2A (0.31) HTR2AHTR2CHTR2B
SCHEMBL2676000 0.71 DRD3 (0.47) DPP4HTR2CHTR2B

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-1829876-A1 NITROGENEOUS TRICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2007-09-05 EP disclosed