SCHEMBL9319178

SCHEMBL9319178

CC(O)CCN1CCN(CCC(C)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.38
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 1/20 0.36
CSNK2A1 P68400 3/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 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
SCHEMBL24319340 0.92 GAA (0.41) HRH3TP53SMN1; SMN2
SCHEMBL25304200 0.92 GAA (0.41) HRH3TP53SMN1; SMN2
SCHEMBL9801142 0.92 GAA (0.41) HRH3TP53SMN1; SMN2
SCHEMBL9801680 0.90 KDM4E (0.35) HRH3SMN1; SMN2KMT2A
SCHEMBL9801809 0.90 DRD2 (0.39) HRH3SMN1; SMN2DRD2
SCHEMBL9801052 0.90 KMT2A (0.48) TP53LMNAHTTKMT2A
SCHEMBL3271095 0.89 HRH3 (0.46) HRH3LMNAKMT2A
SCHEMBL9801327 0.88 ALOX15 (0.59) HRH3TP53SMN1; SMN2ALOX15
SCHEMBL1455583 0.87 HRH3 (0.49) HRH3SMN1; SMN2LMNAKMT2A
SCHEMBL10510078 0.87 HRH3 (0.49) HRH3SMN1; SMN2LMNAKMT2A

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-0342439-B1 Process for the aftertreatment of dyed textile materials BAYER AG (DE) 1994-01-19 EP disclosed