SCHEMBL5827618

SCHEMBL5827618

CNC(=O)C([O])C1CCN(C)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.37
GNAI3 P08754 2/20 0.35
GNAO1 P09471 2/20 0.35
GNAI1 P63096 2/20 0.35
CYP1A2 P05177 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CACNA2D1 P54289 1/20 0.31
CACNA1B Q00975 1/20 0.31
CACNB1 Q02641 1/20 0.31
CACNA1C Q13936 1/20 0.31
KDM1A O60341 1/20 0.31
MAOA P21397 1/20 0.31
KDM1B Q8NB78 1/20 0.31
RCOR1 Q9UKL0 1/20 0.31
POLB P06746 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL5828172 0.81 FPR2 (0.39) FPR2CYP1A2TDP1TP53KDM4E
SCHEMBL5827619 0.81 GNAI3 (0.35) FPR2GNAI3GNAO1GNAI1CYP1A2
SCHEMBL5828038 0.80 LMNA (0.37) FPR2GNAI3GNAO1GNAI1CYP1A2
SCHEMBL22962395 0.70 FPR2 (0.39) FPR2GNAI3GNAO1GNAI1CYP1A2
SCHEMBL28748512 0.69 NCF1 (0.39) GNAI3GNAO1GNAI1TP53CACNA2D1
SCHEMBL5827842 0.69 TP53 (0.35) GNAI3GNAO1GNAI1TP53CHRM1
SCHEMBL5828493 0.69 TP53 (0.35) GNAI3GNAO1GNAI1TP53CHRM1
SCHEMBL10066711 0.68 TP53 (0.50) TP53POLB
SCHEMBL5828173 0.68 KDM4E (0.39) FPR2CYP1A2TDP1TP53KDM4E
SCHEMBL4921739 0.68 NCF1 (0.37) GNAI3GNAO1GNAI1TP53CACNA2D1

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