SCHEMBL28944413

SCHEMBL28944413

O=C(Cc1ccccc1)NC1CCCCC1CN1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.56
▸ SIGMAR1 Q99720 9/20 0.50
▸ CCR3 P51677 5/20 0.49
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ GLS O94925 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL14368746 1.00 EPHX2 (0.56) EPHX2SIGMAR1CCR3MEN1ALDH1A1
SCHEMBL14368730 0.88 POLB (0.58) SIGMAR1CCR3ALDH1A1SMN1; SMN2
SCHEMBL28783273 0.88 POLB (0.58) SIGMAR1CCR3ALDH1A1SMN1; SMN2
SCHEMBL27757306 0.87 SIGMAR1 (0.55) EPHX2SIGMAR1ALDH1A1GLS
SCHEMBL14368710 0.87 SIGMAR1 (0.55) EPHX2SIGMAR1ALDH1A1GLS
SCHEMBL14368687 0.84 EPHX2 (0.60) EPHX2SIGMAR1CCR3ALDH1A1NPC1
SCHEMBL14368806 0.83 CCR3 (0.50) CCR3ALDH1A1KMT2ANPC1RAB9A
SCHEMBL4429053 0.83 CCR3 (0.50) CCR3ALDH1A1KMT2ANPC1RAB9A
SCHEMBL14392696 0.83 EPHX1 (0.52) CCR3MEN1ALDH1A1KMT2A
SCHEMBL14368972 0.83 EPHX1 (0.52) CCR3MEN1ALDH1A1KMT2A

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
CN-101484442-A Compounds that are agonists of muscarinic receptors and tha may be effective in treating pain, alzheimer's disease and/or schizophrenia ASTRAZENECA AB (SE) 2009-07-15 — — CN claimed
CN-101484442-A Compounds that are agonists of muscarinic receptors and tha may be effective in treating pain, alzheimer's disease and/or schizophrenia ASTRAZENECA AB (SE) 2009-07-15 — — CN disclosed
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