SCHEMBL7836409

SCHEMBL7836409

O=C(N[C@@H](CO)CCn1ccc2ccc(OCCCCc3ccccc3)cc21)c1c[nH]cn1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADA P00813 9/20 0.58
MCL1 Q07820 10/20 0.43
BCL2 P10415 2/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL7846771 0.88 ADA (0.51) ADAMCL1BCL2
SCHEMBL7453033 0.76 CTSG (0.44) ADA
SCHEMBL7848612 0.75 ADA (0.60) ADA
SCHEMBL6938142 0.74 ADA (1.00) ADA
SCHEMBL7837035 0.74 ADA (0.59) ADA
SCHEMBL6935884 0.71 ADA (1.00) ADA
SCHEMBL6938150 0.69 ADA (0.78) ADAMCL1
SCHEMBL7838799 0.68 MTNR1A (0.41) PPARGPPARA
SCHEMBL7835522 0.68 PDE5A (0.38)
SCHEMBL7453024 0.67 MMP13 (0.40)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161429-A2 HETEROCYCLIC COMPOUNDS AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-12-12 EP disclosed
WO-2000055155-A2 HETEROCYCLIC COMPOUNDS AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-09-21 WO disclosed