SCHEMBL6434607

SCHEMBL6434607

COC(=O)c1cccc(-c2cccc(NCCNCC(O)COc3ccccc3)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 8/20 0.61
ADRB3 P13945 8/20 0.61
ADRB2 P07550 5/20 0.61
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
ATM Q13315 1/20 0.47
MAPT P10636 1/20 0.47
CYP1A2 P05177 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL6434599 1.00 ADRB1 (0.61) ADRB1ADRB3ADRB2PRMT5WDR77
SCHEMBL6432407 0.91 ADRB1 (0.59) ADRB1ADRB3ADRB2ATMMAPT
SCHEMBL6432412 0.91 ADRB1 (0.59) ADRB1ADRB3ADRB2ATMMAPT
SCHEMBL6440250 0.85 ADRB1 (0.51) ADRB1ADRB3ADRB2ATMMAPT
SCHEMBL11246086 0.80 MAPT (0.63) ADRB1ADRB3ADRB2ATMMAPT
SCHEMBL11238941 0.80 ATM (0.56) ADRB1ADRB3ADRB2ATMMAPT
SCHEMBL11244044 0.79 MAPT (0.69) ADRB1ADRB3ADRB2ATMMAPT
Hydrochloric Acid SCHEMBL11235226 0.79 ADRB1 (0.56) ADRB1ADRB3ADRB2ATMMAPT
SCHEMBL11234633 0.78 MEN1 (0.55) ADRB1ADRB3ADRB2ATMMAPT
Hydrochloric Acid SCHEMBL11230526 0.78 MAPT (0.68) ADRB1ADRB3ADRB2ATMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1087943-B1 THERAPEUTIC BIARYL DERIVATIVES GLAXO GROUP LTD (GB) 2005-08-17 EP disclosed
US-6251925-B1 AN AGONISTS FOR HUMAN BETA-3 ADRENOCEPTOR GLAXO WELLCOME INC. 2001-06-26 US disclosed