SCHEMBL4958650

SCHEMBL4958650

CO/C(N(C)C)=[N+](/C)On1nnc2cccnc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.34
MGLL Q99685 2/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33
TUBB2B Q9BVA1 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33
MAPT P10636 4/20 0.32
HPGD P15428 1/20 0.32
PDE4B Q07343 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
SCHEMBL29359375 0.81 FAAH (0.36) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL241113 0.81 FAAH (0.36) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL4958138 0.81 HDAC3 (0.44) MAPTRXFP1KDM4EKMT2ASMN1; SMN2
SCHEMBL4958670 0.80 FAAH (0.34) FAAHMGLLTUBB4ATUBBTUBA3C
Fluoride Ion SCHEMBL542371 0.80 FAAH (0.36) FAAHMGLLTUBB4ATUBBTUBA3C
Hydrochloric Acid SCHEMBL29673290 0.80 FAAH (0.36) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL488363 0.80 TUBB4A (0.36) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL19458902 0.80 FAAH (0.36) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL5713204 0.80 FAAH (0.36) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL16245341 0.79 FAAH (0.35) FAAHMGLLTUBB4ATUBBTUBA3C

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-7317000-B2 Glucose-dependent insulins NOVO NORDISK A/S (DK) 2008-01-08 US disclosed