SCHEMBL19983456

SCHEMBL19983456

CCC(CC)OCCN1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CXCR4 P61073 2/20 0.37
LTA4H P09960 1/20 0.36
HSD17B10 Q99714 1/20 0.34
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33

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
SCHEMBL27396276 0.90 SIGMAR1 (0.45) SIGMAR1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL26939798 0.83 HRH2 (0.40) SIGMAR1MEN1KMT2ACXCR4HRH2
SCHEMBL26941832 0.82 SIGMAR1 (0.36) SIGMAR1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL7721322 0.81 SIGMAR1 (0.44) SIGMAR1CXCR4LTA4HHRH2HRH1
SCHEMBL26940837 0.81 MEN1 (0.39) SIGMAR1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL8042099 0.80 SIGMAR1 (0.53) SIGMAR1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL20332938 0.80 CHRNA7 (0.43) SMN1; SMN2LTA4H
SCHEMBL14141934 0.78 SIGMAR1 (0.47) SIGMAR1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL8063 0.77 SIGMAR1 (0.50) SIGMAR1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL18500370 0.77 ALDH1A1 (0.44) SIGMAR1SMN1; SMN2POLBMEN1KMT2A

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
WO-2018053126-A1 INHIBITION OF BMP SIGNALING, COMPOUNDS, COMPOSITIONS AND USES THEREOF VANDERBILT UNIVERSITY (US) 2018-03-22 WO disclosed