SCHEMBL28783269

SCHEMBL28783269

O=C(CCc1ccc(Cl)cc1)NC1CCCCC1CN1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 2/20 0.52
▸ CHRM1 P11229 1/20 0.52
▸ HTR2A P28223 1/20 0.52
▸ HRH3 Q9Y5N1 3/20 0.46
▸ POLB P06746 1/20 0.45
▸ CCR1 P32246 2/20 0.44
▸ EPHX1 P07099 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CCR3 P51677 2/20 0.42
▸ SIGMAR1 Q99720 2/20 0.42
▸ HPGD P15428 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
SCHEMBL14368694 1.00 MCHR1 (0.52) MCHR1CHRM1HTR2AHRH3POLB
SCHEMBL14368730 0.90 POLB (0.58) HRH3POLBTP53MAPTCCR3
SCHEMBL28783273 0.90 POLB (0.58) HRH3POLBTP53MAPTCCR3
SCHEMBL14368751 0.87 NPC1 (0.52) CCR3SIGMAR1HPGD
SCHEMBL27757307 0.87 NPC1 (0.52) CCR3SIGMAR1HPGD
SCHEMBL14369063 0.84 CCR3 (0.48) HTR2ACCR3
SCHEMBL27778278 0.83 CCR3 (0.47) HTR2ACCR3
SCHEMBL14368993 0.83 CCR3 (0.47) HTR2ACCR3
SCHEMBL14368748 0.82 TP53 (0.48) POLBTP53SIGMAR1HPGD
SCHEMBL27778439 0.82 TP53 (0.48) POLBTP53SIGMAR1HPGD

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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