SCHEMBL7436573

SCHEMBL7436573

Cc1ccc2c(c1)OCC(C(O)CNC1CCN(CC(=O)Nc3ccccc3)CC1)O2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
DRD4 P21917 6/20 0.46
DRD2 P14416 3/20 0.46
DRD3 P35462 2/20 0.46
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL7447128 0.91 RAB9A (0.52) HTTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL7443888 0.90 POLB (0.48) HTTLMNAALDH1A1SMN1; SMN2RECQL
SCHEMBL7433767 0.90 DRD4 (0.53) DRD4DRD2DRD3ALDH1A1RAB9A
SCHEMBL7436242 0.90 LMNA (0.46) HTTLMNAGAADRD4DRD2
SCHEMBL7428126 0.89 ALDH1A1 (0.48) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7434584 0.89 ALDH1A1 (0.47) HTTLMNAGAADRD4DRD2
SCHEMBL10995044 0.87 ALDH1A1 (0.48) HTTLMNAGAADRD4DRD2
SCHEMBL7444058 0.87 ALDH1A1 (0.44) HTTLMNAGAADRD4DRD2
SCHEMBL7439962 0.86 ALDH1A1 (0.47) HTTLMNAGAADRD4DRD2
SCHEMBL7437024 0.86 LMNA (0.45) HTTLMNAGAADRD4DRD2

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed