SCHEMBL6940819

SCHEMBL6940819

NC(=O)c1cn(C[C@H](CCCn2ccc3ccc(NC(=O)CCCc4ccccc4)cc32)OCc2ccccc2)cn1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADA P00813 17/20 0.63
MCHR1 Q99705 1/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL6936378 0.89 ADA (0.67) ADAMCHR1NPC1RAB9A
SCHEMBL6940578 0.89 ADA (0.65) ADAMCHR1
SCHEMBL6938447 0.85 ADA (0.49) ADA
SCHEMBL6942253 0.84 ADA (0.56) ADAMCHR1
SCHEMBL6939006 0.84 ADA (0.48) ADA
SCHEMBL6939156 0.84 ADA (0.46) ADA
SCHEMBL6939251 0.83 ADA (0.76) ADA
SCHEMBL6940814 0.82 ADA (0.70) ADAMCHR1
SCHEMBL6941824 0.82 ADA (0.46) ADA
SCHEMBL6942223 0.81 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