SCHEMBL5827619

SCHEMBL5827619

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.35
GNAO1 P09471 2/20 0.35
GNAI1 P63096 2/20 0.35
FPR2 P25090 1/20 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
BCHE P06276 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
ALDH1A1 P00352 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
SCHEMBL26666191 0.83
SCHEMBL26666570 0.83
SCHEMBL20673400 0.83
SCHEMBL5828173 0.83 KDM4E (0.39) FPR2CYP1A2TDP1TP53KDM4E
SCHEMBL5828040 0.81 LMNA (0.38) GNAI3GNAO1GNAI1CYP1A2TDP1
SCHEMBL5827618 0.81 FPR2 (0.37) GNAI3GNAO1GNAI1FPR2CYP1A2
SCHEMBL18502891 0.77 TP53 (0.47) TP53POLBALDH1A1
SCHEMBL31391852 0.74 EPHX2 (0.34) POLB
SCHEMBL22962395 0.74 FPR2 (0.39) GNAI3GNAO1GNAI1FPR2CYP1A2
SCHEMBL21104411 0.71 NCF1 (0.33) TP53KDM4EALDH1A1

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