SCHEMBL6935843

SCHEMBL6935843

NC(=O)c1cn(C[C@H](CCCn2ncc3ccccc32)OCc2ccccc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.40
ADA P00813 7/20 0.37
RECQL P46063 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MCHR1 Q99705 2/20 0.35
KCNH2 Q12809 1/20 0.35
P2RX7 Q99572 1/20 0.35
MCHR2 Q969V1 1/20 0.33
ASAH1 Q13510 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33

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
SCHEMBL6939156 0.85 ADA (0.46) ADALMNA
SCHEMBL6941444 0.83 KMO (0.44) KMOADARECQLLMNAGAA
SCHEMBL5671897 0.82 ADA (0.47) ADA
SCHEMBL6169457 0.82 ADA (0.49) ADALMNA
SCHEMBL6169467 0.81 ADA (0.48) ADALMNA
SCHEMBL6936458 0.79 L3MBTL1 (0.43) SMN1; SMN2NPC1RAB9A
SCHEMBL6171229 0.79 ADA (0.42) ADA
SCHEMBL6133929 0.79 ADA (0.52) ADANPC1POLB
SCHEMBL6169584 0.79 ADA (0.52) ADA
SCHEMBL6134007 0.79 ADA (0.41) ADAGAAPOLB

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