SCHEMBL11226092

SCHEMBL11226092

CC(C)C1NC(=O)COC12CCN(CC(O)C1COc3ccccc3O1)CC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DRD2 P14416 7/20 0.38
LTA4H P09960 8/20 0.37
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.35
NR1I2 O75469 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 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
SCHEMBL11225550 0.89 DRD2 (0.39) LMNAMAPTSMN1; SMN2NPSR1DRD2
SCHEMBL11234763 0.87 ALDH1A1 (0.38) LMNAMAPTSMN1; SMN2NPSR1DRD2
SCHEMBL11230804 0.85 LMNA (0.37) LMNAMAPTSMN1; SMN2NPSR1DRD2
SCHEMBL11235867 0.84 ALDH1A1 (0.36) LMNAMAPTSMN1; SMN2NPSR1DRD2
SCHEMBL11218423 0.81 DRD2 (0.43) LMNADRD2LTA4HMEN1CYP1A2
SCHEMBL11218476 0.80 LMNA (0.38) LMNAMAPTSMN1; SMN2NPSR1DRD2
SCHEMBL11226310 0.80 DRD2 (0.39) LMNAMAPTSMN1; SMN2NPSR1DRD2
SCHEMBL11220558 0.79 DRD2 (0.40) LMNAMAPTSMN1; SMN2NPSR1DRD2
Hydrochloric Acid SCHEMBL11371592 0.79 DRD2 (0.39) LMNAMAPTSMN1; SMN2NPSR1DRD2
SCHEMBL11219477 0.78 DRD2 (0.38) LMNAMAPTSMN1; SMN2NPSR1DRD2

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-4353901-A HYPERTENSION, CONGESTIVE HEART FAILURE, ARRHYTHMIAMIGRAINE, VASOSPASTIC DISORDERS, ASTHMA SYNTEX (U.S.A.) INC. (US) 1982-10-12 US disclosed