SCHEMBL28783273

SCHEMBL28783273

O=C(Cc1ccc(Cl)cc1)NC1CCCCC1CN1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.58
▸ GAA P10253 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ LMNA P02545 1/20 0.51
▸ SIGMAR1 Q99720 3/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CCR3 P51677 2/20 0.44
▸ ACKR3 P25106 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KCNQ2 O43526 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL14368730 1.00 POLB (0.58) POLBGAASMN1; SMN2LMNASIGMAR1
SCHEMBL14368694 0.90 MCHR1 (0.52) POLBSIGMAR1HRH3HPGDMAPT
SCHEMBL28783269 0.90 MCHR1 (0.52) POLBSIGMAR1HRH3HPGDMAPT
SCHEMBL14368746 0.88 EPHX2 (0.56) SMN1; SMN2SIGMAR1CCR3ALDH1A1
SCHEMBL28944413 0.88 EPHX2 (0.56) SMN1; SMN2SIGMAR1CCR3ALDH1A1
SCHEMBL14368687 0.85 EPHX2 (0.60) POLBLMNASIGMAR1HRH3HPGD
SCHEMBL14392352 0.84 CHRNA7 (0.51) SMN1; SMN2MAPTTP53TSHRKDM4E
SCHEMBL14368703 0.84 CHRNA7 (0.51) SMN1; SMN2MAPTTP53TSHRKDM4E
SCHEMBL27757300 0.84 CHRNA7 (0.51) SMN1; SMN2MAPTTP53TSHRKDM4E
SCHEMBL14368812 0.83 LMNA (0.55) LMNAHRH3HPGDMAPTTP53

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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