SCHEMBL6017029

SCHEMBL6017029

N#CC1(c2ccccc2)CCN(Cc2ccccc2)CC1.c1ccc(CN2CCC(c3ccccc3)(c3nn[nH]n3)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.66
OPRL1 P41146 4/20 0.54
KMT2A Q03164 3/20 0.48
TET3 O43151 1/20 0.48
FBXL19 Q6PCT2 1/20 0.48
CXXC5 Q7LFL8 1/20 0.48
TET1 Q8NFU7 1/20 0.48
KDM2B Q8NHM5 1/20 0.48
CXXC4 Q9H2H0 1/20 0.48
KDM2A Q9Y2K7 1/20 0.48
CHRM4 P08173 1/20 0.46
OPRD1 P41143 1/20 0.44
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL2529201 0.90 KMT2A (0.57) OPRM1OPRL1KMT2ATET3FBXL19
SCHEMBL476404 0.81 OPRM1 (1.00) OPRM1OPRL1CHRM4OPRD1DRD2
Hydrochloric Acid SCHEMBL2473959 0.80 OPRM1 (0.97) OPRM1OPRL1CHRM4OPRD1DRD2
SCHEMBL27645407 0.78 KMT2A (0.55) OPRM1KMT2ATET3FBXL19CXXC5
SCHEMBL3406514 0.75 OPRM1 (0.81) OPRM1OPRL1CHRM4OPRD1DRD2
Hydrochloric Acid SCHEMBL8637817 0.74 OPRM1 (0.79) OPRM1OPRL1CHRM4OPRD1DRD2
SCHEMBL3895012 0.74 OPRM1 (0.83) OPRM1OPRL1CHRM4OPRD1DRD2
SCHEMBL13435360 0.74 KCNA3 (0.59) OPRM1KMT2ATET3FBXL19CXXC5
SCHEMBL373586 0.73 OPRM1 (0.81) OPRM1OPRL1KMT2ACHRM4OPRD1
SCHEMBL8350406 0.73 OPRM1 (0.81) OPRM1OPRL1CHRM4OPRD1DRD2

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-1709029-A2 METHODS FOR MAKING 4-TETRAZOLYL-4-PHENYLPIPERIDINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2006-10-11 EP disclosed
WO-2005075455-A2 METHODS FOR MAKING 4-TETRAZOLYL-4-PHENYLPIPERIDINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2005-08-18 WO disclosed