SCHEMBL7694548

SCHEMBL7694548

COc1ccc2c(Oc3ccc(CCNCC(O)COc4ccccc4)cc3)ccnc2c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 13/20 0.56
ADRB1 P08588 8/20 0.56
ADRB2 P07550 5/20 0.56
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 1/20 0.55
MEN1 O00255 1/20 0.52
CASR P41180 1/20 0.49

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
SCHEMBL7694546 1.00 ADRB3 (0.56) ADRB3ADRB1ADRB2KMT2AALDH1A1
SCHEMBL7691992 0.86 ADRB1 (0.49) ADRB3ADRB1ADRB2KMT2AMEN1
SCHEMBL7691995 0.86 ADRB1 (0.49) ADRB3ADRB1ADRB2KMT2AMEN1
Hydrochloric Acid SCHEMBL7687543 0.85 MEN1 (0.49) ADRB3ADRB1ADRB2KMT2AMEN1
SCHEMBL6532071 0.83 ADRB3 (0.59) ADRB3ADRB1KMT2ACASR
SCHEMBL6532063 0.83 ADRB3 (0.59) ADRB3ADRB1KMT2ACASR
SCHEMBL7688967 0.81 ALDH1A1 (0.54) KMT2AALDH1A1MEN1
SCHEMBL7688962 0.81 ALDH1A1 (0.54) KMT2AALDH1A1MEN1
SCHEMBL7693407 0.81 ADRB1 (0.46) ADRB3ADRB1ADRB2KMT2AMEN1
SCHEMBL9683368 0.79 ADRB3 (0.74) ADRB3ADRB1ADRB2KMT2AMEN1

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
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed