SCHEMBL9787438

SCHEMBL9787438

C[C@H](Cc1ccc(OCCN2CCN(c3ccccc3)CC2)cc1)NCC(O)COc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 5/20 0.55
▸ ADRB2 P07550 4/20 0.55
▸ ADRB1 P08588 4/20 0.55
▸ MAPT P10636 5/20 0.54
▸ HTR7 P34969 2/20 0.53
▸ ALOX15 P16050 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPK1 P28482 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ KMT2A Q03164 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ DRD2 P14416 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ HRH1 P35367 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ TMEM97 Q5BJF2 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.49
▸ CYP2D6 P10635 1/20 0.47

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
SCHEMBL9684128 1.00 ADRB3 (0.55) ADRB3ADRB2ADRB1MAPTHTR7
SCHEMBL11244639 0.88 ADRB2 (0.60) ADRB3ADRB2ADRB1MAPTHTR7
SCHEMBL11573996 0.88 ADRB2 (0.60) ADRB3ADRB2ADRB1MAPTHTR7
SCHEMBL11244640 0.88 ADRB2 (0.60) ADRB3ADRB2ADRB1MAPTHTR7
SCHEMBL11456005 0.88 ADRB2 (0.60) ADRB3ADRB2ADRB1MAPTHTR7
Hydrochloric Acid SCHEMBL11107885 0.83 HTR1A (0.46) ADRB3ADRB2ADRB1MAPTHTR7
Maleic Acid SCHEMBL11575619 0.82 KMT2A (0.53) ADRB3ADRB2ADRB1MAPTHTR7
SCHEMBL11456001 0.81 ADRB2 (0.56) ADRB3ADRB2ADRB1MAPTHTR7
SCHEMBL11456002 0.81 ADRB2 (0.56) ADRB3ADRB2ADRB1MAPTHTR7
SCHEMBL11246083 0.81 ADRB2 (0.56) ADRB3ADRB2ADRB1MAPTHTR7

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-5064863-A Catabolic activity, obesity, diabetes HOFFMANN-LA ROCHE INC. (US) 1991-11-12 — — US disclosed
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