SCHEMBL20755330

SCHEMBL20755330

CCCCCC(CC(C)C)CN1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
OPRM1 P35372 2/20 0.35
SLC6A4 P31645 2/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A2 P23975 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP2D6 P10635 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LTA4H P09960 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
UGCG Q16739 2/20 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
SCHEMBL24404816 0.85 LMNA (0.45) LMNAOPRM1SLC6A4CHRM2HTR1A
SCHEMBL23957178 0.85 LMNA (0.45) LMNAOPRM1SLC6A4CHRM2HTR1A
SCHEMBL28887787 0.85 LMNA (0.45) LMNAOPRM1SLC6A4CHRM2HTR1A
SCHEMBL3229094 0.83 LMNA (0.43) LMNAOPRM1SLC6A4CHRM2HTR1A
SCHEMBL22236670 0.83 LMNA (0.43) LMNAOPRM1SLC6A4CHRM2HTR1A
SCHEMBL22390592 0.83 LMNA (0.43) LMNAOPRM1SLC6A4CHRM2HTR1A
SCHEMBL22236667 0.83 LMNA (0.43) LMNAOPRM1SLC6A4CHRM2HTR1A
SCHEMBL10290344 0.81 CHRM2 (0.47) LMNAOPRM1SLC6A4CHRM2HTR1A
SCHEMBL23899583 0.81 OPRM1 (0.42) LMNAOPRM1SLC6A4CHRM2HTR1A
SCHEMBL27306992 0.79 CHRM2 (0.36) OPRM1SLC6A4CHRM2HTR1AADRA2A

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-2019036384-A1 TRICYCLIC COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2019-02-21 WO disclosed