Anisperimus

Anisperimus

SCHEMBL8778892

CC(N)CCNCCCCNC(=O)OCC(=O)NCCCCCCNC(=N)N.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 3/20 0.36
S1PR1 P21453 4/20 0.35
S1PR3 Q99500 4/20 0.35
S1PR2 O95136 3/20 0.35
S1PR5 Q9H228 3/20 0.35
FAAH O00519 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
HDAC3 O15379 3/20 0.33
HDAC4 P56524 3/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC7 Q8WUI4 3/20 0.33
HDAC2 Q92769 3/20 0.33
HDAC10 Q969S8 3/20 0.33
HDAC11 Q96DB2 3/20 0.33
HDAC8 Q9BY41 3/20 0.33
HDAC6 Q9UBN7 3/20 0.33
HDAC9 Q9UKV0 3/20 0.33
HDAC5 Q9UQL6 3/20 0.33
CA12 O43570 1/20 0.32

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
Anisperimus SCHEMBL8778895 1.00 NPY4R (0.36) NPY4RS1PR1S1PR3S1PR2S1PR5
Anisperimus SCHEMBL8923118 1.00 NPY4R (0.36) NPY4RS1PR1S1PR3S1PR2S1PR5
Anisperimus SCHEMBL8778901 0.92 FAAH (0.39) FAAHMAOAMAOBHDAC3HDAC4
Anisperimus SCHEMBL8778912 0.92 FAAH (0.39) FAAHMAOAMAOBHDAC3HDAC4
Anisperimus SCHEMBL8778920 0.92 FAAH (0.39) FAAHMAOAMAOBHDAC3HDAC4
Trifluoroacetic Acid SCHEMBL8919616 0.88 NPY4R (0.39) NPY4RS1PR1S1PR3S1PR2S1PR5
Trifluoroacetic Acid SCHEMBL8921920 0.88 NPY4R (0.39) NPY4RS1PR1S1PR3S1PR2S1PR5
Trifluoroacetic Acid SCHEMBL8919832 0.88 NPY4R (0.39) NPY4RS1PR1S1PR3S1PR2S1PR5
Trifluoroacetic Acid SCHEMBL9178492 0.86 HDAC6 (0.43) NPY4RFAAHMAOAMAOBHDAC3
Tresperimus SCHEMBL9173994 0.86 HDAC6 (0.43) NPY4RFAAHMAOAMAOBHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0669316-B1 Analogs of 15-deoxyspergualine, process for their preparation and their use as immunosuppressive agents FOURNIER IND & SANTE (FR) 1997-07-30 EP claimed
US-5637613-A ANTITUMOR AGENT; IMMUNOSUPPRESSANTS FOURNIER INDUSTRIE ET SANTE (FR) 1997-06-10 US claimed
JP-8041007-A None JP disclosed
US-5637613-A ANTITUMOR AGENT; IMMUNOSUPPRESSANTS FOURNIER INDUSTRIE ET SANTE (FR) 1997-06-10 US disclosed
JP-H0841007-A 15-DEOXYSPERGUALIN ANALOG, ITS PRODUCTION AND THERAPEUTIC USE FOURNIER IND & SANTE 1996-02-13 JP disclosed