SCHEMBL8976099

SCHEMBL8976099

NC(=O)Cc1ccc(OCCNCc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.65
KMT2A Q03164 1/20 0.61
KDM4E B2RXH2 2/20 0.56
LMNA P02545 1/20 0.56
MITF O75030 1/20 0.56
GAA P10253 1/20 0.56
PPARG P37231 1/20 0.56
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
DRD2 P14416 1/20 0.53
ADRA1D P25100 1/20 0.53

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
SCHEMBL9136277 0.88 TAAR1 (0.66) DRD4KMT2AGAADRD2DRD3
SCHEMBL10895588 0.86 DRD4 (0.65) DRD4KMT2AKDM4ELMNAMITF
SCHEMBL11544699 0.84 OPRM1 (0.67) DRD4KMT2AKDM4ELMNAMITF
SCHEMBL18798799 0.82 PARP10 (0.64) PPARG
SCHEMBL8976026 0.81 ALOX15 (0.80) KDM4EGAA
SCHEMBL8976032 0.81 ALOX15 (0.80) KDM4EGAA
SCHEMBL9269886 0.81 DRD4 (0.80) DRD4KMT2AGAAPPARGDRD2
SCHEMBL9268670 0.80 DRD4 (0.69) DRD4KMT2AKDM4ELMNAMITF
SCHEMBL8740486 0.80 DRD4 (1.00) DRD4KMT2AGAAPPARGHDAC3
Hydrochloric Acid SCHEMBL8976317 0.80 ALOX15 (0.82) KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5480910-A 4-(2-(2-HYDROXY-2-PHENYLETHYLAMINO)ETHOXY)PHENYLACETIC ACID OR SALT IS ADMINISTERED FOR GASTROINTESTINAL DISORDERS ZENECA LIMITED (GB) 1996-01-02 US disclosed
EP-0516349-B1 2-Hydroxy-2-phenylethylamine derivatives as beta-3-adrenoceptor agonists ZENECA LTD (GB) 1995-09-20 EP disclosed
EP-0516350-B1 2-Hydroxy-2-phenylethylamine derivatives as beta-3-adrenoceptor agonists ZENECA LTD (GB) 1995-09-20 EP disclosed
US-5434184-A B3-adrenoceptor agonist ZENECA LIMITED (GB) 1995-07-18 US disclosed
US-5393779-A Anti-obesity, hypoglycemic, adrenergic blocking agents ZENECA LIMITED (GB) 1995-02-28 US disclosed
EP-0426804-B1 2-(2-HYDROXY-3-PHENOXYPROPYLAMINO)-ETHOXYBENZENE DERIVATIVES ICI PLC (GB) 1994-01-19 EP disclosed
EP-0516350-A2 2-Hydroxy-2-phenylethylamine derivatives as beta-3-adrenoceptor agonists ZENECA LIMITED (GB) 1992-12-02 EP disclosed
EP-0516349-A2 2-Hydroxy-2-phenylethylamine derivatives as beta-3-adrenoceptor agonists ZENECA LIMITED (GB) 1992-12-02 EP disclosed
EP-0426804-A1 2-(2-HYDROXY-3-PHENOXYPROPYLAMINO)-ETHOXYBENZENE DERIVATIVES. ICI PLC (GB) 1991-05-15 EP disclosed
WO-1990013535-A1 COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-11-15 WO disclosed
US-4137328-A CONGESTIVE HEART FAILURE PFIZER INC. (US) 1979-01-30 US disclosed