SCHEMBL5314801

SCHEMBL5314801

CCN(CC)C(=O)c1ccc(NC(=O)[C@H]2CC3(CCN(c4cc(N)ccn4)CC3)c3ccccc32)nc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 17/20 0.62
KCNH2 Q12809 12/20 0.62
HDAC1 Q13547 1/20 0.36
GRM5 P41594 1/20 0.35
PDE4B Q07343 1/20 0.34

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
SCHEMBL5316545 0.84 OPRD1 (0.68) OPRD1KCNH2
SCHEMBL5314997 0.83 OPRD1 (0.81) OPRD1KCNH2
SCHEMBL5313435 0.81 OPRD1 (0.83) OPRD1KCNH2
SCHEMBL14529821 0.80 OPRD1 (0.70) OPRD1KCNH2
SCHEMBL5314036 0.77 OPRD1 (0.70) OPRD1KCNH2
SCHEMBL5316799 0.77 OPRD1 (1.00) OPRD1KCNH2
SCHEMBL5312960 0.77 OPRD1 (1.00) OPRD1KCNH2
SCHEMBL5314784 0.77 OPRD1 (1.00) OPRD1KCNH2
SCHEMBL14530107 0.77 OPRD1 (0.76) OPRD1KCNH2
SCHEMBL5313541 0.77 OPRD1 (0.67) OPRD1KCNH2

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
WO-2007057775-A1 SPIROPIPERIDINE DERIVATIVES PFIZER LIMITED (GB) 2007-05-24 WO disclosed