SCHEMBL9686827

SCHEMBL9686827

CC(C)COCCc1ccc(OCC(O)CNCCn2cnc3cc(C4=NNC(=O)CC4)ccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
HRH3 Q9Y5N1 3/20 0.38
ADRB1 P08588 3/20 0.36
ADRB3 P13945 3/20 0.36
ADRB2 P07550 2/20 0.36
CYP2D6 P10635 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 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
SCHEMBL7306723 0.96 MAPT (0.40) MAPTKMT2ALMNANPY1RNPY2R
SCHEMBL7293811 0.90 ADRB1 (0.44) MAPTKMT2ALMNANPY1RNPY2R
SCHEMBL7296670 0.89 LMNA (0.43) MAPTKMT2ALMNANPY1RNPY2R
SCHEMBL7294522 0.89 MAPT (0.40) MAPTKMT2ALMNANPY1RNPY2R
SCHEMBL7305917 0.88 MAPT (0.42) MAPTKMT2ALMNANPY1RNPY2R
SCHEMBL7298235 0.88 MAPT (0.42) MAPTKMT2ALMNANPY1RNPY2R
SCHEMBL7303317 0.88 MAPT (0.42) MAPTKMT2ALMNANPY1RNPY2R
Hydrochloric Acid SCHEMBL7362586 0.88 ADRB2 (0.44) MAPTKMT2ALMNANPY1RNPY2R
SCHEMBL7301195 0.87 HRH3 (0.40) KMT2ALMNAHRH3ADRB1ADRB3
SCHEMBL7296611 0.85 MAPT (0.39) MAPTKMT2ALMNANPY1RNPY2R

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