SCHEMBL9016254

SCHEMBL9016254

COc1ccc(CCNCC(O)COc2ccc(C3CCCCC3)cc2C)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.57
ADRB1 P08588 4/20 0.57
HTR1A P08908 1/20 0.57
ADRA2C P18825 1/20 0.57
SLC6A4 P31645 1/20 0.57
ADRA1A P35348 1/20 0.57
HTR2B P41595 1/20 0.57
SLC6A3 Q01959 1/20 0.57
KCNH2 Q12809 1/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
KDM4E B2RXH2 1/20 0.54
ADRB3 P13945 3/20 0.52

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
SCHEMBL9016215 0.82 MEN1 (0.61) KMT2AMEN1KDM4E
SCHEMBL9016247 0.78 POLB (0.49) HTR2BKCNH2KMT2AMEN1
SCHEMBL7310315 0.77 KMT2A (0.66) ADRB2ADRB1HTR1AADRA2CSLC6A4
SCHEMBL7317219 0.76 ADRB2 (0.63) ADRB2ADRB1HTR1AADRA2CSLC6A4
Hydrochloric Acid SCHEMBL11153245 0.76 KMT2A (0.64) ADRB2ADRB1HTR1AADRA2CSLC6A4
SCHEMBL7310430 0.76 ADRB2 (0.55) ADRB2ADRB1HTR1AADRA2CSLC6A4
SCHEMBL11787642 0.76 ADRB2 (0.63) ADRB2ADRB1HTR1AADRA2CSLC6A4
SCHEMBL11884643 0.74 ADRB2 (0.80) ADRB2ADRB1HTR1AADRA2CSLC6A4
SCHEMBL11668773 0.74 ADRB2 (0.69) ADRB2ADRB1HTR1AADRA2CSLC6A4
SCHEMBL7310568 0.74 KMT2A (0.70) ADRB2ADRB1HTR1AADRA2CSLC6A4

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-5482964-A ANTIEPILEPTIC WARNER-LAMBERT COMPANY (US) 1996-01-09 US disclosed