SCHEMBL8418583

SCHEMBL8418583

O=[C]C(CCN1CCC(O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.77
CCR1 P32246 13/20 0.65
OPRM1 P35372 2/20 0.58
CCR3 P51677 1/20 0.57

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
SCHEMBL11601787 0.87 KCNA3 (1.00) KCNA3CCR1CCR3
SCHEMBL11611247 0.82 KCNA3 (0.69) KCNA3CCR1OPRM1CCR3
SCHEMBL9107132 0.80 KCNA3 (0.86) KCNA3CCR1CCR3
SCHEMBL2312804 0.79 CCR1 (1.00) KCNA3CCR1OPRM1CCR3
SCHEMBL8418585 0.79 KCNA3 (0.62) KCNA3CCR1OPRM1CCR3
Hydrochloric Acid SCHEMBL11629523 0.78 CCR1 (0.98) KCNA3CCR1OPRM1CCR3
SCHEMBL11732757 0.78 KCNA3 (0.81) KCNA3CCR1CCR3
SCHEMBL10697451 0.75 SIGMAR1 (0.65) KCNA3CCR1CCR3
SCHEMBL7744512 0.75 OPRM1 (0.66) KCNA3CCR1OPRM1
SCHEMBL6661392 0.74 KCNA3 (0.77) KCNA3CCR1CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5849762-A Peripherally acting anti-pruritic opiates ADOLOR CORPORATION (US) 1998-12-15 US claimed
US-5888494-A TOPICAL ADOLOR CORPORATION (US) 1999-03-30 US disclosed
US-5849762-A Peripherally acting anti-pruritic opiates ADOLOR CORPORATION (US) 1998-12-15 US disclosed