SCHEMBL27757451

SCHEMBL27757451

O=C(NC1CCCCC1CN1CCCCC1)c1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 4/20 0.48
▸ BCL3 P20749 1/20 0.47
▸ HTT P42858 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ACKR3 P25106 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
SCHEMBL28944630 0.86 TAS1R3 (0.49) KDM4ERAB9AALDH1A1L3MBTL1GAA
SCHEMBL14368778 0.86 TAS1R3 (0.49) KDM4ERAB9AALDH1A1L3MBTL1GAA
SCHEMBL14368809 0.84 F10 (0.49) CCR3NPC1ACKR3
SCHEMBL27778277 0.84 F10 (0.49) CCR3NPC1ACKR3
SCHEMBL14392660 0.84 CCR3 (0.40) CCR3HTTKDM4ENPC1RAB9A
SCHEMBL4429053 0.83 CCR3 (0.50) CCR3HTTNPC1RAB9AALDH1A1
SCHEMBL14368806 0.83 CCR3 (0.50) CCR3HTTNPC1RAB9AALDH1A1
SCHEMBL14392662 0.82 CCR3 (0.44) CCR3
SCHEMBL14368669 0.81 SSTR3 (0.55) CCR3NPC1RAB9A
SCHEMBL27757345 0.81 SSTR3 (0.55) CCR3NPC1RAB9A

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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