SCHEMBL7691992

SCHEMBL7691992

CN(C)C(=O)c1ccc2c(Oc3ccc(CCNC[C@H](O)COc4ccccc4)cc3)ccnc2c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 15/20 0.49
ADRB3 P13945 14/20 0.49
ADRB2 P07550 3/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TAAR1 Q96RJ0 1/20 0.45

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
SCHEMBL7691995 1.00 ADRB1 (0.49) ADRB1ADRB3ADRB2MEN1KMT2A
SCHEMBL7694548 0.86 ADRB3 (0.56) ADRB1ADRB3ADRB2MEN1KMT2A
SCHEMBL7694546 0.86 ADRB3 (0.56) ADRB1ADRB3ADRB2MEN1KMT2A
SCHEMBL7693407 0.83 ADRB1 (0.46) ADRB1ADRB3ADRB2MEN1KMT2A
Hydrochloric Acid SCHEMBL7695304 0.82 ADRB1 (0.50) ADRB1ADRB3ADRB2
Hydrochloric Acid SCHEMBL7687543 0.82 MEN1 (0.49) ADRB1ADRB3ADRB2MEN1KMT2A
SCHEMBL7691890 0.79 ADRB3 (0.51) ADRB1ADRB3ADRB2
SCHEMBL7688963 0.79 ADRB3 (0.49) ADRB1ADRB3MEN1KMT2A
SCHEMBL7692913 0.79 LPAR1 (0.39) MEN1KMT2A
Hydrochloric Acid SCHEMBL7695179 0.77 ADRB1 (0.48) ADRB1ADRB3ADRB2MEN1KMT2A

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