SCHEMBL11218476

SCHEMBL11218476

CC(C)N1C(=O)COC2(CCN(CC(O)C3COc4ccccc4O3)CC2)C1C

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 8/20 0.38
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 3/20 0.34
LTA4H P09960 2/20 0.34
MEN1 O00255 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
HIF1A Q16665 1/20 0.34
NR1I2 O75469 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34

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
SCHEMBL11226310 0.89 DRD2 (0.39) LMNAMAPTSMN1; SMN2NPSR1DRD2
SCHEMBL11227230 0.87 ALDH1A1 (0.38) LMNAMAPTSMN1; SMN2NPSR1DRD2
SCHEMBL11219477 0.82 DRD2 (0.38) LMNAMAPTSMN1; SMN2NPSR1DRD2
SCHEMBL11230998 0.81 DRD2 (0.43) LMNADRD2ALDH1A1KMT2AMEN1
SCHEMBL11225550 0.81 DRD2 (0.39) LMNAMAPTSMN1; SMN2NPSR1DRD2
SCHEMBL11226092 0.80 LMNA (0.38) LMNAMAPTSMN1; SMN2NPSR1DRD2
SCHEMBL11228036 0.79 SIGMAR1 (0.52) LMNAMAPTSMN1; SMN2NPSR1DRD2
SCHEMBL11222769 0.78 DRD2 (0.35) LMNAMAPTSMN1; SMN2NPSR1DRD2
SCHEMBL11234763 0.78 ALDH1A1 (0.38) LMNAMAPTSMN1; SMN2NPSR1DRD2
SCHEMBL11228908 0.78 SIGMAR1 (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