SCHEMBL11544699

SCHEMBL11544699

NC(=O)c1ccc(OCCNCc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.67
OPRD1 P41143 5/20 0.67
OPRK1 P41145 5/20 0.67
DRD4 P21917 4/20 0.67
PARP10 Q53GL7 2/20 0.65
KMT2A Q03164 1/20 0.62
KDM4E B2RXH2 2/20 0.57
LMNA P02545 1/20 0.57
MITF O75030 1/20 0.57
GAA P10253 1/20 0.57
PPARG P37231 1/20 0.57
GRIN2D O15399 1/20 0.57
GRIN3B O60391 1/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A3 Q01959 1/20 0.57
GRIN1 Q05586 1/20 0.57
KCNH2 Q12809 1/20 0.57
GRIN2A Q12879 1/20 0.57
GRIN2B Q13224 1/20 0.57
ROCK1 Q13464 1/20 0.57

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
SCHEMBL9268670 0.87 DRD4 (0.69) DRD4KMT2AKDM4ELMNAMITF
SCHEMBL12651142 0.85 HDAC1 (0.57) OPRM1OPRD1OPRK1DRD4PARP10
SCHEMBL1123563 0.84 MAPT (0.68) DRD4KMT2AKDM4ELMNAMITF
SCHEMBL8976099 0.84 DRD4 (0.65) DRD4KMT2AKDM4ELMNAMITF
SCHEMBL12651246 0.81 MAOB (0.62) OPRM1OPRD1OPRK1DRD4PARP10
SCHEMBL7414882 0.81 OPRM1 (0.68) OPRM1OPRD1OPRK1DRD4KMT2A
SCHEMBL8740486 0.81 DRD4 (1.00) DRD4KMT2AGAAPPARGDRD2
SCHEMBL3690849 0.81 OPRM1 (0.82) OPRM1OPRD1OPRK1PARP10KMT2A
SCHEMBL3692341 0.81 OPRM1 (1.00) OPRM1OPRD1OPRK1PARP10KMT2A
SCHEMBL580098 0.81 OPRM1 (1.00) OPRM1OPRD1OPRK1PARP10KMT2A

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
US-4147869-A ADRENERGIC BLOCKING AGENTS FOR TREATMENT OF ANGINA PECTORIS, ARRHYTHMIA AND HYPERTENSION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1979-04-03 US disclosed
US-4137328-A CONGESTIVE HEART FAILURE PFIZER INC. (US) 1979-01-30 US disclosed