SCHEMBL27757311

SCHEMBL27757311

O=C(CCc1cccnc1)NC1CCCCC1CN1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 14/20 0.50
▸ LMNA P02545 1/20 0.47
▸ TNKS2 Q9H2K2 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPT P10636 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SIGMAR1 Q99720 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
SCHEMBL14368761 1.00 C3AR1 (0.50) C3AR1LMNATNKS2ALDH1A1MAPT
SCHEMBL27757306 0.90 SIGMAR1 (0.55) C3AR1ALDH1A1MAPTHTTSIGMAR1
SCHEMBL14368710 0.90 SIGMAR1 (0.55) C3AR1ALDH1A1MAPTHTTSIGMAR1
SCHEMBL14368751 0.82 NPC1 (0.52) ALDH1A1SIGMAR1
SCHEMBL27757307 0.82 NPC1 (0.52) ALDH1A1SIGMAR1
SCHEMBL28783269 0.81 MCHR1 (0.52) MAPTSIGMAR1
SCHEMBL14368694 0.81 MCHR1 (0.52) MAPTSIGMAR1
SCHEMBL28779126 0.80 CCR3 (0.56) LMNAALDH1A1SIGMAR1
SCHEMBL28944413 0.79 EPHX2 (0.56) ALDH1A1SIGMAR1
SCHEMBL14368746 0.79 EPHX2 (0.56) ALDH1A1SIGMAR1

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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