SCHEMBL9686910

SCHEMBL9686910

Cc1cc(C2=NNC(=O)CC2)ccc1OCCCNCC(O)COc1ccc(COCCOC(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
ALOX12 P18054 1/20 0.44
NFKB1 P19838 1/20 0.44
APEX1 P27695 1/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 2/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41

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
SCHEMBL7303245 0.98 ADRB2 (0.48) ADRB2ADRB1ADRB3KMT2ALMNA
SCHEMBL7337397 0.93 ADRB2 (0.47) ADRB2ADRB1ADRB3KMT2ALMNA
SCHEMBL7297332 0.91 LMNA (0.47) ADRB2ADRB1ADRB3KMT2ALMNA
SCHEMBL7331432 0.91 ADRB2 (0.48) ADRB2ADRB1ADRB3KMT2ALMNA
SCHEMBL7296778 0.90 ATM (0.45) ADRB2ADRB1ADRB3KMT2ALMNA
SCHEMBL7294156 0.89 ADRB2 (0.54) ADRB2ADRB1ADRB3KMT2ALMNA
SCHEMBL7304909 0.88 MAPT (0.43) ADRB2ADRB3KMT2ALMNAMAPT
SCHEMBL7305660 0.85 MAPT (0.44) ADRB2ADRB3KMT2ALMNAMAPT
SCHEMBL7302226 0.84 LMNA (0.48) ADRB2ADRB1ADRB3KMT2ALMNA
SCHEMBL7296867 0.84 ADRB2 (0.47) ADRB2ADRB1ADRB3KMT2ALMNA

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