SCHEMBL27778271

SCHEMBL27778271

O=C(NC1CCCCC1CN1CCCCC1)c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 1/20 0.48
▸ THRB P10828 1/20 0.44
▸ HDAC1 Q13547 3/20 0.44
▸ HDAC3 O15379 2/20 0.44
▸ HDAC2 Q92769 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CHRNA7 P36544 1/20 0.44
▸ MCHR1 Q99705 1/20 0.42
▸ F10 P00742 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ ADCY8 P40145 1/20 0.41
▸ ADCY1 Q08828 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL14368700 1.00 CCR3 (0.48) CCR3THRBHDAC1HDAC3HDAC2
SCHEMBL14392754 1.00 CCR3 (0.48) CCR3THRBHDAC1HDAC3HDAC2
SCHEMBL14392352 0.88 CHRNA7 (0.51) ALDH1A1CHRNA7MCHR1F10NPC1
SCHEMBL27757300 0.88 CHRNA7 (0.51) ALDH1A1CHRNA7MCHR1F10NPC1
SCHEMBL27778441 0.88 CCR3 (0.48) CCR3ALDH1A1F10NPC1RAB9A
SCHEMBL14368703 0.88 CHRNA7 (0.51) ALDH1A1CHRNA7MCHR1F10NPC1
SCHEMBL27757345 0.88 SSTR3 (0.55) CCR3NPC1RAB9A
SCHEMBL14368724 0.88 CCR3 (0.48) CCR3ALDH1A1F10NPC1RAB9A
SCHEMBL14368669 0.88 SSTR3 (0.55) CCR3NPC1RAB9A
SCHEMBL4429053 0.87 CCR3 (0.50) CCR3ALDH1A1GAANPC1RAB9A

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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