SCHEMBL4661122

SCHEMBL4661122

COc1ccccc1OCCN1CCOC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.60
TDP1 Q9NUW8 1/20 0.60
CYP2D6 P10635 1/20 0.55
TSHR P16473 1/20 0.55
DRD1 P21728 1/20 0.52
DRD4 P21917 1/20 0.52
DRD5 P21918 1/20 0.52
SYK P43405 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 2/20 0.50
MITF O75030 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49

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
SCHEMBL5319656 0.91 KDM4E (0.70) KDM4ETDP1CYP2D6TSHRDRD1
Ammonia Solution, Strong SCHEMBL4267670 0.90 KDM4E (0.68) KDM4ETDP1CYP2D6TSHRDRD1
SCHEMBL12661473 0.80 POLB (0.73) TDP1CYP2D6TSHRDRD1DRD4
SCHEMBL14578233 0.78 DRD1 (0.65) KDM4ETDP1CYP2D6TSHRDRD1
SCHEMBL13744516 0.78 SMN1; SMN2 (0.66) KDM4ETDP1CYP2D6TSHRDRD1
SCHEMBL9200753 0.76 TDP1 (0.50) KDM4ETDP1CYP2D6TSHRALDH1A1
SCHEMBL3436048 0.76 POLB (0.55) KDM4ETDP1ALDH1A1POLBMITF
SCHEMBL12058633 0.76 TDP1 (0.74) KDM4ETDP1CYP2D6DRD1DRD4
SCHEMBL9195296 0.75 DRD2 (0.56) KDM4ETDP1TSHRALDH1A1POLB
SCHEMBL9200779 0.75 ADRA1A (0.57) KDM4ETDP1POLBMITFSMN1; SMN2

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-1741700-B1 Process for the preparation of carvedilol IPCA LAB LTD (IN) 2008-12-24 EP disclosed
EP-1741700-A1 Process for the preparation of carvedilol IPCA Laboratories Limited (IN) 2007-01-10 EP disclosed