SCHEMBL17263306

SCHEMBL17263306

CN(C)CCCN(C)[C@H]1CCN(C)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.40
MCHR1 Q99705 3/20 0.34
HRH4 Q9H3N8 1/20 0.34
ALOX15 P16050 1/20 0.33
PGR P06401 2/20 0.33
NCF1 P14598 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL19226484 0.85 PGR (0.43) SIGMAR1MCHR1HRH4PGRSMN1; SMN2
SCHEMBL5663838 0.84 SIGMAR1 (0.39) SIGMAR1MCHR1HRH4PGRNCF1
SCHEMBL5663844 0.84 SIGMAR1 (0.39) SIGMAR1MCHR1HRH4PGRNCF1
SCHEMBL13939978 0.81 SIGMAR1 (0.41) SIGMAR1MCHR1PGRNCF1ALDH1A1
SCHEMBL18376167 0.79 SIGMAR1 (0.40) SIGMAR1MCHR1PGRNCF1ALDH1A1
SCHEMBL5661288 0.79 SIGMAR1 (0.40) SIGMAR1MCHR1PGRNCF1ALDH1A1
SCHEMBL5661285 0.79 SIGMAR1 (0.40) SIGMAR1MCHR1HRH4PGRNCF1
SCHEMBL24027442 0.78 TSHR (0.44) SIGMAR1MCHR1PGRNCF1ALDH1A1
SCHEMBL23603446 0.78 SIGMAR1 (0.40) SIGMAR1MCHR1HRH4PGRNCF1
SCHEMBL17263240 0.77 HRH3 (0.35) PGRTSHRSLC6A4

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-9187441-B2 p53-Mdm2 antagonists University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2015-11-17 US disclosed