SCHEMBL28779126

SCHEMBL28779126

COc1cccc(CCC(=O)NC2CCCCC2CN2CCCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 6/20 0.56
▸ HRH3 Q9Y5N1 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.47
▸ SIGMAR1 Q99720 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ACKR3 P25106 1/20 0.44
▸ LMNA P02545 1/20 0.44

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
SCHEMBL14368751 0.85 NPC1 (0.52) CCR3ALDH1A1SIGMAR1ACKR3
SCHEMBL27757307 0.85 NPC1 (0.52) CCR3ALDH1A1SIGMAR1ACKR3
SCHEMBL14368788 0.82 ALDH1A1 (0.58) CCR3ALDH1A1MEN1KMT2ALMNA
SCHEMBL14368687 0.80 EPHX2 (0.60) CCR3HRH3ALDH1A1SIGMAR1POLB
SCHEMBL14368701 0.80 POLB (0.53) CCR3HRH3ALDH1A1SIGMAR1POLB
SCHEMBL27757311 0.80 C3AR1 (0.50) ALDH1A1SIGMAR1LMNA
SCHEMBL14368761 0.80 C3AR1 (0.50) ALDH1A1SIGMAR1LMNA
SCHEMBL28783269 0.78 MCHR1 (0.52) CCR3HRH3SIGMAR1POLB
SCHEMBL14368694 0.78 MCHR1 (0.52) CCR3HRH3SIGMAR1POLB
SCHEMBL5660663 0.77 CCR3 (0.62) CCR3SIGMAR1POLBACKR3

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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