SCHEMBL6936378

SCHEMBL6936378

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

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADA P00813 16/20 0.67
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MCHR1 Q99705 1/20 0.39
LMNA P02545 1/20 0.38
ROCK1 Q13464 1/20 0.38

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
SCHEMBL6940819 0.89 ADA (0.63) ADANPC1RAB9AMCHR1
SCHEMBL6939251 0.88 ADA (0.76) ADA
SCHEMBL6940662 0.86 ADA (0.71) ADA
SCHEMBL6942223 0.85 ADA (0.80) ADA
SCHEMBL6939037 0.85 ADA (0.80) ADA
SCHEMBL6936406 0.84 ADA (0.78) ADAROCK1
SCHEMBL6936372 0.83 ADA (0.75) ADA
SCHEMBL6939245 0.82 ADA (0.95) ADA
SCHEMBL6942214 0.80 ADA (1.00) ADA
SCHEMBL6941827 0.80 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