SCHEMBL9686757

SCHEMBL9686757

O=C1CCC(c2ccc3c(c2)nnn3CCNCC(O)COc2ccc(CCOCC3CCC3)cc2)=NN1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
ADRB1 P08588 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP2D6 P10635 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
ADRB2 P07550 1/20 0.42
GAA P10253 1/20 0.42
BLM P54132 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HRH3 Q9Y5N1 3/20 0.38
MAPT P10636 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 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
SCHEMBL7305917 0.89 MAPT (0.42) LMNAADRB1KMT2ACYP2D6MEN1
SCHEMBL7296670 0.89 LMNA (0.43) LMNAADRB1KMT2ACYP2D6MEN1
SCHEMBL7307735 0.87 ADRB1 (0.44) LMNAADRB1KMT2ACYP2D6MEN1
SCHEMBL7302884 0.87 ADRB1 (0.52) LMNAADRB1KMT2ACYP2D6MEN1
SCHEMBL7303937 0.86 LMNA (0.51) LMNAADRB1KMT2ACYP2D6MEN1
SCHEMBL7293811 0.86 ADRB1 (0.44) LMNAADRB1KMT2ACYP2D6MEN1
SCHEMBL7304851 0.84 LMNA (0.45) LMNAADRB1KMT2ACYP2D6MEN1
SCHEMBL7302577 0.83 LMNA (0.53) LMNAADRB1KMT2ACYP2D6MEN1
SCHEMBL9687578 0.82 ADRB1 (0.46) LMNAADRB1KMT2ACYP2D6MEN1
SCHEMBL7300125 0.82 LMNA (0.52) LMNAADRB1KMT2ACYP2D6MEN1

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-5135932-A 2-HYDROXYPROPYLAMINO-ALKYL-BENZIMIDAZOLY-5-YL DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEART DISEASE DR. KARL THOMAE GMBH (DE) 1992-08-04 US disclosed