SCHEMBL6794657

SCHEMBL6794657

COc1cc(CCN2CCN(C)CC2)ccc1-c1ccc(-c2ccccc2O)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.50
EBP Q15125 2/20 0.50
TMEM97 Q5BJF2 1/20 0.50
EBPL Q9BY08 1/20 0.49
ABCB1 P08183 1/20 0.47
ABCC1 P33527 1/20 0.47
DHCR7 Q9UBM7 1/20 0.46
KCNJ1 P48048 1/20 0.45
KCNH2 Q12809 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45

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
SCHEMBL2952076 0.82 ADRB1 (0.48) SIGMAR1EBPTMEM97EBPLABCB1
SCHEMBL2949961 0.81 CHKA (0.56) SIGMAR1EBPTMEM97EBPLABCB1
SCHEMBL2948029 0.76 EBP (0.51) SIGMAR1EBPTMEM97EBPLABCB1
SCHEMBL2950817 0.75 CHKA (0.54) SIGMAR1EBPTMEM97EBPLABCB1
SCHEMBL7663433 0.74 CHEK1 (0.48)
SCHEMBL310628 0.72 SIGMAR1 (0.54) SIGMAR1EBPTMEM97EBPLADRA1D
SCHEMBL1299348 0.71 SIGMAR1 (0.79) SIGMAR1EBPTMEM97EBPL
SCHEMBL2948792 0.71 ABCB1 (0.53) ABCB1ABCC1
SCHEMBL8075010 0.71 SIGMAR1 (0.89) SIGMAR1EBPTMEM97EBPL
Hydrochloric Acid SCHEMBL1298925 0.71 SIGMAR1 (0.77) SIGMAR1EBPTMEM97EBPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6720338-B2 BCL-X1 INHIBITING COMPOSITIONS AND METHODS OF PROMOTING APOPTOSIS IN A MAMMAL ABBOTT LABORATORIES 2004-04-13 US disclosed