SCHEMBL8478595

SCHEMBL8478595

NC(=O)Cc1ccc(OCCNC[C@H](O)c2ccc(N)nc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.58
ADRB1 P08588 8/20 0.58
ALOX15 P16050 1/20 0.56
ADRB2 P07550 6/20 0.46
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
CNR1 P21554 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
THPO P40225 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43

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
SCHEMBL8478592 1.00 ADRB3 (0.58) ADRB3ADRB1ALOX15ADRB2LMNA
SCHEMBL8478597 1.00 ADRB3 (0.58) ADRB3ADRB1ALOX15ADRB2LMNA
SCHEMBL667470 0.91 ALOX15 (0.69) ADRB3ADRB1ALOX15ADRB2CYP1A2
SCHEMBL667469 0.91 ALOX15 (0.69) ADRB3ADRB1ALOX15ADRB2CYP1A2
SCHEMBL667471 0.91 ALOX15 (0.69) ADRB3ADRB1ALOX15ADRB2CYP1A2
Hydrochloric Acid SCHEMBL6136778 0.90 ALOX15 (0.71) ADRB3ADRB1ALOX15ADRB2CYP1A2
Hydrochloric Acid SCHEMBL6136770 0.90 ALOX15 (0.71) ADRB3ADRB1ALOX15ADRB2CYP1A2
Hydrochloric Acid SCHEMBL6136774 0.90 ALOX15 (0.71) ADRB3ADRB1ALOX15ADRB2CYP1A2
SCHEMBL3704286 0.85 ADRB3 (0.60) ADRB3ADRB1ALOX15ADRB2
SCHEMBL3704284 0.85 ADRB3 (0.60) ADRB3ADRB1ALOX15ADRB2

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-5977124-A β-adrenergic agonists PFIZER INC. (US) 1999-11-02 US disclosed
EP-0824519-A1 BETA-ADRENERGIC AGONISTS PFIZER INC. (US) 1998-02-25 EP disclosed
WO-1996035671-A1 β-ADRENERGIC AGONISTS PFIZER INC. (US) 1996-11-14 WO disclosed