SCHEMBL7227686

SCHEMBL7227686

CCCNCCCN1CCC(N)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 10/20 0.61
GNAO1 P09471 10/20 0.61
GNAI1 P63096 10/20 0.61
SPHK1 Q9NYA1 1/20 0.45
ACE2 Q9BYF1 1/20 0.38
PAOX Q6QHF9 1/20 0.36
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
PRMT1 Q99873 1/20 0.35
PRMT8 Q9NR22 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL6944193 0.93 GNAO1 (0.66) GNAI3GNAO1GNAI1SPHK1ACE2
SCHEMBL7227721 0.91 GNAO1 (0.74) GNAI3GNAO1GNAI1SPHK1
SCHEMBL7078379 0.91 GNAO1 (0.74) GNAI3GNAO1GNAI1SPHK1
SCHEMBL6943797 0.89 GNAO1 (0.66) GNAI3GNAO1GNAI1SPHK1ACE2
SCHEMBL6941401 0.89 GNAI3 (0.55) GNAI3GNAO1GNAI1SPHK1ACE2
SCHEMBL6942008 0.88 GNAO1 (0.74) GNAI3GNAO1GNAI1SPHK1
SCHEMBL6945499 0.86 GNAI3 (0.61) GNAI3GNAO1GNAI1SPHK1ACE2
SCHEMBL6943963 0.83 GNAI3 (0.47) GNAI3GNAO1GNAI1SPHK1CARM1
SCHEMBL13822725 0.82 ACE2 (0.48) GNAI3GNAO1GNAI1ACE2PAOX
SCHEMBL6941884 0.81 GNAO1 (0.81) GNAI3GNAO1GNAI1SPHK1

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-6642231-B2 Antineoplastic agents, treatment for neuronal injury and degeneration AVENTIS PHARMACEUTICALS INC. 2003-11-04 US disclosed