SCHEMBL7659446

SCHEMBL7659446

NC(=O)c1cn(C(O)CCCc2cccc(C(F)(F)F)c2)cn1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADA P00813 8/20 0.47
NR3C2 P08235 1/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
MAOB P27338 1/20 0.42
EPHX1 P07099 4/20 0.41
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL7668675 0.85 ADA (0.51) ADATAAR1
SCHEMBL7661719 0.85 ADA (0.54) ADA
SCHEMBL7670511 0.84 ADA (0.50) ADANR3C2
SCHEMBL7659436 0.83 ADA (0.71) ADANR3C2
SCHEMBL7659109 0.83 ADA (0.66) ADA
SCHEMBL7452599 0.80 CYP4F2 (0.52) ADA
SCHEMBL6172982 0.80 ADA (0.47) ADANR3C2MAOBEPHX1
SCHEMBL7656871 0.80 ADA (0.46) ADA
SCHEMBL6173090 0.77 ADA (0.51) ADA
SCHEMBL7664221 0.73 ADA (0.70) ADA

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
US-6359145-B1 ADENOSINE DEAMINASE INHIBITOR; ANTIINFLAMMATORY AGENTS; IMMUNOSUPPRESSANT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-19 US disclosed