SCHEMBL8728977

SCHEMBL8728977

Cc1c(F)c(F)cc(C2(O)CCN(CCC(C(=O)N3CCOCC3)(c3ccccc3)c3ccccc3)CC2)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.48
OPRD1 P41143 3/20 0.48
OPRL1 P41146 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
ADRA2A P08913 3/20 0.42
DRD4 P21917 3/20 0.42
SLC6A4 P31645 3/20 0.42
LMNA P02545 3/20 0.42
HRH2 P25021 2/20 0.42
ADRA1A P35348 2/20 0.42
KCNH2 Q12809 2/20 0.42
SCN5A Q14524 2/20 0.42
MEN1 O00255 2/20 0.42
ADRB2 P07550 2/20 0.42
OPRK1 P41145 2/20 0.42
HTR2B P41595 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KMT2A Q03164 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
SCN1A P35498 2/20 0.42

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
SCHEMBL6701358 0.78 OPRM1 (0.76) OPRM1OPRD1OPRL1SMN1; SMN2ADRA2A
SCHEMBL6662792 0.74 OPRM1 (0.55) OPRM1OPRD1OPRL1SMN1; SMN2ADRA2A
Desmethylmoramide SCHEMBL2111155 0.73 OPRM1 (0.68) OPRM1OPRD1SMN1; SMN2LMNAKCNH2
SCHEMBL7744512 0.71 OPRM1 (0.66) OPRM1OPRD1OPRL1SMN1; SMN2ADRA2A
SCHEMBL10420947 0.71 OPRL1 (0.55) OPRL1LMNAMEN1KMT2ASIGMAR1
SCHEMBL6695001 0.71 OPRM1 (0.65) OPRM1OPRD1OPRL1SMN1; SMN2ADRA2A
Hydrochloric Acid SCHEMBL7738855 0.70 OPRM1 (0.64) OPRM1OPRD1OPRL1SMN1; SMN2ADRA2A
SCHEMBL8740951 0.69 SMN1; SMN2 (0.66) OPRM1OPRD1SMN1; SMN2LMNAMEN1
SCHEMBL6664282 0.68 OPRM1 (0.48) OPRM1OPRD1OPRL1SMN1; SMN2ADRA2A
SCHEMBL6841843 0.68 OPRM1 (0.55) OPRM1OPRD1OPRL1SMN1; SMN2ADRA2A

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-0852494-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-07-15 EP disclosed
WO-1997009973-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-03-20 WO disclosed