SCHEMBL11788316

SCHEMBL11788316

CCCCCN1CCC(O)CC1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.51
▸ KMT2A Q03164 1/20 0.43
▸ CCR3 P51677 1/20 0.42
▸ SPHK1 Q9NYA1 1/20 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
SCHEMBL18640269 0.84 KCNH2 (0.51) KCNH2KMT2ACCR3SPHK1
SCHEMBL18640221 0.83 KCNH2 (0.53) KCNH2KMT2ASPHK1
SCHEMBL11404739 0.81 KCNH2 (0.56) KCNH2SPHK1
SCHEMBL18640359 0.80 KCNH2 (0.46) KCNH2CCR3
SCHEMBL10589721 0.79 KCNH2 (0.49) KCNH2
SCHEMBL11729674 0.79 CA1 (0.41) CCR3
SCHEMBL28101802 0.78 KCNH2 (0.57) KCNH2KMT2ASPHK1
SCHEMBL11498959 0.78 KCNH2 (0.53) KCNH2
SCHEMBL25689644 0.77 GAA (0.53) CCR3SPHK1
SCHEMBL18557917 0.76 GBA1 (0.55) SPHK1

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
US-4012392-A ANALGESICS, MORPHINE ANTAGONISTS ACF CHEMIEFARMA N.V. (NL) 1977-03-15 — — US disclosed
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