SCHEMBL6942763

SCHEMBL6942763

Cc1cn(CCC[C@@H](O)n2cnc(C(N)=O)c2)c2cc(NC(=O)CCCc3ccccc3)ccc12

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADA P00813 17/20 0.57
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 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
SCHEMBL6942762 0.89 ADA (0.73) ADA
SCHEMBL6941950 0.87 ADA (0.53) ADAPDE4APDE4BPDE4CPDE4D
SCHEMBL6939251 0.86 ADA (0.76) ADA
SCHEMBL6942599 0.86 ADA (0.63) ADA
SCHEMBL6942223 0.84 ADA (0.80) ADA
SCHEMBL7848226 0.83 ADA (0.52) ADANPC1RAB9APOLB
SCHEMBL6939037 0.83 ADA (0.80) ADA
SCHEMBL6941946 0.83 ADA (0.60) ADA
SCHEMBL6936406 0.82 ADA (0.78) ADA
SCHEMBL6941827 0.82 ADA (0.80) 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-6596738-B1 Inhibiting activity to adenosine deaminase (hereinafter described as ADA) An adenosine deaminase inhibiting agent comprising a compound of the formula (I): FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-22 US disclosed