SCHEMBL311401

SCHEMBL311401

Cc1ccn2cc(C[C@]3(C(C)(C)C)CCCCN3C(=O)O)nc2n1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 1/20 0.32
NTRK1 P04629 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL2538401 0.82 KDM4E (0.33) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL2121865 0.80 KDM4E (0.46) KDM4EALDH1A1POLB
SCHEMBL2121709 0.80 KDM4E (0.45) KDM4EALDH1A1TDP1
SCHEMBL311517 0.78 AKT1 (0.31)
SCHEMBL2120939 0.78 KDM4E (0.37) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL2120299 0.78 METTL3 (0.41) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL2512855 0.78 KDM4E (0.36) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL2533055 0.78 KDM4E (0.35) KDM4EALDH1A1
SCHEMBL2512319 0.77 RXFP1 (0.32) KDM4E
SCHEMBL2122900 0.76 KDM4E (0.34) KDM4EALDH1A1POLBL3MBTL1

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-8093255-B2 Imidazo[1,2-A]pyrimidines as orexin receptor antagonists GLAXO GROUP LIMITED (GB) 2012-01-10 US disclosed