SCHEMBL5828040

SCHEMBL5828040

CN1CCC(C(O)C(=O)NC(C)(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
SSTR4 P31391 7/20 0.34
SSTR1 P30872 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
RIPK1 Q13546 1/20 0.32
DPP4 P27487 1/20 0.32
CTSK P43235 1/20 0.32

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
SCHEMBL5828038 0.84 LMNA (0.37) LMNAKDM4ESMN1; SMN2SSTR4SSTR1
SCHEMBL5827619 0.81 GNAI3 (0.35) KDM4ETP53CYP1A2TDP1GNAI3
SCHEMBL5828173 0.80 KDM4E (0.39) KDM4ESMN1; SMN2TP53CYP1A2TDP1
SCHEMBL18502891 0.74 TP53 (0.47) TP53
SCHEMBL8277379 0.72 POLB (0.51) LMNAKDM4ESMN1; SMN2TP53
SCHEMBL13621551 0.68 RIPK1 (0.37) TP53CYP1A2TDP1GNAI3GNAO1
SCHEMBL23089331 0.68 CHRM3 (0.46) SMN1; SMN2DPP4
SCHEMBL20732401 0.67 NCF1 (0.39) TP53GNAI3GNAO1GNAI1
SCHEMBL5827618 0.67 FPR2 (0.37) KDM4ETP53CYP1A2TDP1GNAI3
SCHEMBL20374989 0.66 DPP4 (0.36) LMNASMN1; SMN2DPP4

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-7001904-B1 Guanidine derivatives quinazoline and quinoline for use in the treatment of autoimmune diseases ASTRAZENECA AB (SE) 2006-02-21 US disclosed