SCHEMBL30914545

SCHEMBL30914545

CCCNC(=O)CCNC(=O)C1CCNC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.51
GNAO1 P09471 2/20 0.51
GNAI1 P63096 2/20 0.51
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA7 P36544 1/20 0.51
CHRNA4 P43681 1/20 0.51
PRCP P42785 3/20 0.41
HTR2C P28335 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
NAAA Q02083 1/20 0.38
EPHX1 P07099 2/20 0.38
ALDH1A1 P00352 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
F2R P25116 1/20 0.36
DPP4 P27487 1/20 0.36

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
SCHEMBL2149339 0.91 CHRNB2 (0.60) GNAI3GNAO1GNAI1CHRNB2CHRNB4
SCHEMBL21661360 0.91 CHRNB2 (0.60) GNAI3GNAO1GNAI1CHRNB2CHRNB4
SCHEMBL4635163 0.81 GNAI3 (0.69) GNAI3GNAO1GNAI1CHRNB2CHRNB4
SCHEMBL13285080 0.81 CHRNB2 (0.57) GNAI3GNAO1GNAI1CHRNB2CHRNB4
SCHEMBL1438745 0.81 GNAI3 (0.73) GNAI3GNAO1GNAI1CHRNB2CHRNB4
SCHEMBL12574191 0.79 GNAI3 (0.51) GNAI3GNAO1GNAI1CHRNB2CHRNB4
SCHEMBL3935665 0.79 GNAI3 (0.51) GNAI3GNAO1GNAI1CHRNB2CHRNB4
SCHEMBL22179098 0.79 GNAI3 (0.80) GNAI3GNAO1GNAI1CHRNB2CHRNB4
SCHEMBL22178791 0.79 GNAI3 (0.80) GNAI3GNAO1GNAI1CHRNB2CHRNB4
SCHEMBL22179122 0.79 GNAI3 (0.80) GNAI3GNAO1GNAI1CHRNB2CHRNB4

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
EP-4013756-B1 MLL1 INHIBITORS AND ANTI-CANCER AGENTS NOVARTIS AG (CH) 2024-05-08 EP claimed