SCHEMBL27778277

SCHEMBL27778277

O=C(NC1CCCCC1CN1CCCCC1)c1ccc(Cl)cc1F

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 1/20 0.49
▸ ACKR3 P25106 2/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ CCR3 P51677 5/20 0.45
▸ TAS1R3 Q7RTX0 2/20 0.44
▸ TAS1R1 Q7RTX1 2/20 0.44
▸ TAS1R2 Q8TE23 2/20 0.44
▸ MCHR1 Q99705 1/20 0.43
▸ CXCR3 P49682 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SLC6A12 P48065 1/20 0.40

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
SCHEMBL14368809 1.00 F10 (0.49) F10ACKR3NPC1CCR3TAS1R3
SCHEMBL14368754 0.86 NPC1 (0.48) NPC1CCR3TAS1R3TAS1R1TAS1R2
SCHEMBL14392662 0.85 CCR3 (0.44) CCR3
SCHEMBL27757451 0.84 CCR3 (0.48) ACKR3NPC1CCR3
SCHEMBL14368703 0.82 CHRNA7 (0.51) F10NPC1MCHR1MAPT
SCHEMBL14392352 0.82 CHRNA7 (0.51) F10NPC1MCHR1MAPT
SCHEMBL27757300 0.82 CHRNA7 (0.51) F10NPC1MCHR1MAPT
SCHEMBL28944630 0.80 TAS1R3 (0.49) F10ACKR3TAS1R3TAS1R1TAS1R2
SCHEMBL14368778 0.80 TAS1R3 (0.49) F10ACKR3TAS1R3TAS1R1TAS1R2
SCHEMBL14368686 0.77 HRH3 (0.57) NPC1TAS1R3TAS1R1

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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