SCHEMBL6928815

SCHEMBL6928815

[CH2]C(CCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.74
OPRL1 P41146 8/20 0.69
OPRD1 P41143 2/20 0.69
OPRK1 P41145 2/20 0.57
DRD4 P21917 2/20 0.57
ABCB11 O95342 1/20 0.56
TP53 P04637 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
PKM P14618 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
THPO P40225 1/20 0.56
MTOR P42345 1/20 0.56
EBP Q15125 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
KCNA3 P22001 1/20 0.56
KDM4E B2RXH2 1/20 0.55
PMP22 Q01453 1/20 0.55
SMN1; SMN2 Q16637 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
SCHEMBL6695688 0.81 OPRM1 (0.67) OPRM1OPRL1OPRD1OPRK1DRD4
SCHEMBL3136902 0.81 OPRL1 (0.86) OPRM1OPRL1OPRD1OPRK1DRD4
Hydrochloric Acid SCHEMBL4813917 0.80 OPRL1 (0.84) OPRM1OPRL1OPRD1OPRK1DRD4
SCHEMBL18029400 0.79 OPRL1 (0.70) OPRM1OPRL1OPRD1OPRK1DRD4
SCHEMBL7104650 0.79 OPRL1 (0.65) OPRM1OPRL1OPRD1OPRK1DRD4
SCHEMBL9053345 0.78 ABCB11 (0.85) OPRM1OPRL1OPRD1ABCB11TP53
SCHEMBL6701358 0.78 OPRM1 (0.76) OPRM1OPRL1OPRD1OPRK1DRD4
SCHEMBL10079145 0.77 OPRL1 (0.64) OPRM1OPRL1OPRD1OPRK1DRD4
SCHEMBL12642624 0.77 OPRL1 (0.67) OPRM1OPRL1OPRD1OPRK1DRD4
SCHEMBL16363588 0.76 OPRL1 (0.66) OPRM1OPRL1OPRD1OPRK1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1119354-A4 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES ADOLOR CORP (US) 2003-02-12 EP claimed
JP-2002527392-A 2002-08-27 JP claimed
EP-1119354-A1 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES Adolor Corporation (US) 2001-08-01 EP claimed
WO-2000021530-A1 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES ADOLOR CORPORATION (US) 2000-04-20 WO claimed