SCHEMBL5828038

SCHEMBL5828038

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
FPR2 P25090 1/20 0.33
ALOX5 P09917 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RIPK1 Q13546 1/20 0.31
DPP4 P27487 1/20 0.31
SSTR4 P31391 3/20 0.31
SSTR1 P30872 2/20 0.30

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
SCHEMBL5828040 0.84 LMNA (0.38) LMNAKDM4ESMN1; SMN2TP53CYP1A2
SCHEMBL5827618 0.80 FPR2 (0.37) KDM4EFPR2POLBTP53CYP1A2
SCHEMBL5828172 0.77 FPR2 (0.39) KDM4ESMN1; SMN2FPR2KMT2ATP53
SCHEMBL5827842 0.72 TP53 (0.35) SMN1; SMN2KMT2ATP53GNAI3GNAO1
SCHEMBL5828493 0.72 TP53 (0.35) SMN1; SMN2KMT2ATP53GNAI3GNAO1
SCHEMBL8277379 0.71 POLB (0.51) LMNAKDM4ESMN1; SMN2POLBKMT2A
SCHEMBL5827619 0.69 GNAI3 (0.35) KDM4EFPR2POLBTP53CYP1A2
SCHEMBL5828173 0.68 KDM4E (0.39) KDM4ESMN1; SMN2FPR2KMT2ATP53
SCHEMBL13621551 0.67 RIPK1 (0.37) TP53CYP1A2TDP1GNAI3GNAO1
SCHEMBL23089331 0.67 CHRM3 (0.46) SMN1; SMN2KMT2AALDH1A1DPP4

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