SCHEMBL7604993

SCHEMBL7604993

O=C(O)NNc1ncc[nH]1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.44
TBXAS1 P24557 2/20 0.39
ADRA2A P08913 6/20 0.38
ADRA2C P18825 6/20 0.38
ADRA1D P25100 4/20 0.38
ADRA1A P35348 4/20 0.38
ADRA1B P35368 4/20 0.38
FFAR2 O15552 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NR3C1 P04150 1/20 0.34
PTGES O14684 1/20 0.34

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
SCHEMBL170782 0.79
SCHEMBL8310366 0.78 ADRA2A (0.48) FDPSADRA2AADRA2CADRA1DADRA1A
SCHEMBL8824678 0.77 TAAR1 (0.47) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL14520090 0.76 GAA (0.50) ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL8819697 0.72 FDPS (0.48) FDPSADRA2AADRA2CADRA1DADRA1A
SCHEMBL7342758 0.72 FDPS (0.48) FDPSADRA2AADRA2CADRA1DADRA1A
SCHEMBL14520070 0.72 GAA (0.58) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL2403988 0.71 TBXAS1 (0.44) FDPSTBXAS1ADRA2AADRA2CADRA1D
SCHEMBL708660 0.70 ADRA2A (0.56) FDPSADRA2AADRA2CADRA1DADRA1A
SCHEMBL241675 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1266900-A1 Carbamates of rapamycin Wyeth (US) 2002-12-18 EP disclosed
US-5411967-A Antiinflammatory, immunosuppressant, antitumor AMERICAN HOME PRODUCTS CORPORATION (US) 1995-05-02 US disclosed
EP-0593227-A1 Carbamates of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1994-04-20 EP disclosed
US-5302584-A Immunosuppressants AMERICAN HOME PRODUCTS CORPORATION (US) 1994-04-12 US disclosed