SCHEMBL8835982

SCHEMBL8835982

COc1ccc(CCNCC(O)COc2ccc(N)cc2)cc1OC

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.78
ADRB2 P07550 3/20 0.72
ADRB1 P08588 3/20 0.72
ADRB3 P13945 2/20 0.72
HTR1A P08908 1/20 0.70
ADRA2C P18825 1/20 0.70
SLC6A4 P31645 1/20 0.70
ADRA1A P35348 1/20 0.70
HTR2B P41595 1/20 0.70
SLC6A3 Q01959 1/20 0.70
KCNH2 Q12809 1/20 0.70
KDM4E B2RXH2 1/20 0.69

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
SCHEMBL11884643 0.88 ADRB2 (0.80) KMT2AADRB2ADRB1ADRB3HTR1A
SCHEMBL7116296 0.87 ADRB3 (0.79) KMT2AADRB2ADRB1ADRB3
SCHEMBL10555388 0.87 KMT2A (0.75) KMT2AADRB2ADRB1HTR1AADRA2C
SCHEMBL11259043 0.87 KMT2A (0.75) KMT2AADRB2ADRB1HTR1AADRA2C
SCHEMBL10554140 0.87 KMT2A (0.75) KMT2AADRB2ADRB1HTR1AADRA2C
SCHEMBL22279157 0.85 ADRB3 (0.79) KMT2AADRB2ADRB1ADRB3HTR1A
SCHEMBL29900715 0.85 ADRB3 (0.79) KMT2AADRB2ADRB1ADRB3HTR1A
SCHEMBL5963374 0.85 KMT2A (0.72) KMT2AADRB2ADRB1HTR1AADRA2C
SCHEMBL4531206 0.85 KMT2A (0.72) KMT2AADRB2ADRB1HTR1AADRA2C
SCHEMBL8790970 0.84 KMT2A (0.71) KMT2AADRB2ADRB1HTR1AADRA2C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5604237-A IMPROVE OR INCREASE EFFICACY OF ANTITUMOR AGENT, INCREASE OR RESTORE SENSITIVITY OF TUMOR TO ANTITUMOR AGENT, REVERSE OR REDUCE RESISTANCE OF TUMOR TO ANTITUMOR AGENT LABORATOIRES GLAXO SA (FR) 1997-02-18 US disclosed
EP-0494623-A1 Acridine derivatives LABORATOIRES GLAXO SA (FR) 1992-07-15 EP disclosed