SCHEMBL7129026

SCHEMBL7129026

OC1(c2ccccc2)CCN(Cc2cccc(Oc3ccccc3)c2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.69
POLB P06746 1/20 0.68
ALDH1A1 P00352 4/20 0.61
KDM4E B2RXH2 3/20 0.61
TDP1 Q9NUW8 1/20 0.61
HPGD P15428 1/20 0.61
HTT P42858 1/20 0.61
CCR3 P51677 1/20 0.59
LMNA P02545 1/20 0.57
GAA P10253 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CCR8 P51685 5/20 0.56
KCNH2 Q12809 3/20 0.56
TRPV6 Q9H1D0 1/20 0.56
SIGMAR1 Q99720 2/20 0.55
CACNA1F O60840 1/20 0.55
CHRM2 P08172 1/20 0.55
ADRB1 P08588 1/20 0.55
DRD2 P14416 1/20 0.55
SLC6A2 P23975 1/20 0.55

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
SCHEMBL6496650 0.92 CCR3 (0.74) OPRL1POLBALDH1A1KDM4ETDP1
SCHEMBL381873 0.88 OPRL1 (0.75) OPRL1POLBALDH1A1KDM4ECCR3
SCHEMBL6529499 0.84 ALDH1A1 (0.65) OPRL1ALDH1A1KDM4ETDP1HPGD
SCHEMBL7126258 0.84 KDM4E (0.60) OPRL1ALDH1A1KDM4ETDP1HPGD
SCHEMBL1411499 0.83 OPRL1 (1.00) OPRL1POLBKDM4ECCR3SIGMAR1
SCHEMBL6528764 0.81 OPRM1 (0.71) OPRL1ALDH1A1KDM4ETDP1HPGD
SCHEMBL4816046 0.81 ALDH1A1 (0.80) OPRL1POLBALDH1A1KDM4ECCR3
SCHEMBL3893161 0.81 OPRL1 (0.68) OPRL1POLBKDM4ECCR3DRD2
SCHEMBL6499571 0.80 ALDH1A1 (0.75) ALDH1A1KDM4ETDP1HPGDHTT
SCHEMBL6042553 0.80 OPRL1 (0.66) OPRL1POLBALDH1A1KDM4EHPGD

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
WO-2003037271-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS,INC. (US) 2003-05-08 WO disclosed