SCHEMBL27757345

SCHEMBL27757345

O=C(NC1CCCCC1CN1CCCCC1)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 8/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ CCR3 P51677 11/20 0.52
▸ CYP2D6 P10635 1/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46

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
SCHEMBL14368669 1.00 SSTR3 (0.55) SSTR3NPC1RAB9ACCR3CYP2D6
SCHEMBL14368703 0.88 CHRNA7 (0.51) NPC1RAB9A
SCHEMBL27778271 0.88 CCR3 (0.48) NPC1RAB9ACCR3
SCHEMBL27757300 0.88 CHRNA7 (0.51) NPC1RAB9A
SCHEMBL14368700 0.88 CCR3 (0.48) NPC1RAB9ACCR3
SCHEMBL14392754 0.88 CCR3 (0.48) NPC1RAB9ACCR3
SCHEMBL14392352 0.88 CHRNA7 (0.51) NPC1RAB9A
SCHEMBL14368724 0.88 CCR3 (0.48) NPC1RAB9ACCR3CYP2D6DRD2
SCHEMBL27778441 0.88 CCR3 (0.48) NPC1RAB9ACCR3CYP2D6DRD2
SCHEMBL4429053 0.87 CCR3 (0.50) SSTR3NPC1RAB9ACCR3

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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