SCHEMBL9685386

SCHEMBL9685386

C[C@@H](CCc1ccc(CN)s1)NC[C@H](O)COc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
ALDH1A1 P00352 1/20 0.67
ADRB3 P13945 9/20 0.55
ADRB2 P07550 8/20 0.55
ADRB1 P08588 6/20 0.55
CYP2D6 P10635 2/20 0.55
DPP4 P27487 2/20 0.47
OPRM1 P35372 1/20 0.45
OPRD1 P41143 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
SCHEMBL9685378 1.00 MEN1 (0.67) MEN1KMT2AALDH1A1ADRB3ADRB2
SCHEMBL11017442 0.87 KMT2A (0.64) MEN1KMT2AALDH1A1ADRB3ADRB2
SCHEMBL9684249 0.85 MEN1 (0.61) MEN1KMT2AALDH1A1ADRB3ADRB2
SCHEMBL9684254 0.85 MEN1 (0.61) MEN1KMT2AALDH1A1ADRB3ADRB2
SCHEMBL9685281 0.84 MEN1 (0.63) MEN1KMT2AALDH1A1ADRB3ADRB2
SCHEMBL9685272 0.84 MEN1 (0.63) MEN1KMT2AALDH1A1ADRB3ADRB2
SCHEMBL9684139 0.79 MEN1 (0.57) MEN1KMT2AALDH1A1ADRB3ADRB2
SCHEMBL11373385 0.79 ADRB2 (0.72) MEN1KMT2AALDH1A1ADRB3ADRB2
Oxalic Acid SCHEMBL9683314 0.79 MEN1 (0.76) MEN1KMT2AALDH1A1ADRB3ADRB2
SCHEMBL18461272 0.76 KMT2A (0.72) MEN1KMT2AALDH1A1ADRB3ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5166218-A Antilipemic agents or antiglycemic agents HOFFMANN-LA ROCHE INC. (US) 1992-11-24 US disclosed
US-5064863-A Catabolic activity, obesity, diabetes HOFFMANN-LA ROCHE INC. (US) 1991-11-12 US disclosed
EP-0140243-B1 PHENOXYPROPANOL AMINES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-11-09 EP disclosed