SCHEMBL27757300

SCHEMBL27757300

O=C(NC1CCCCC1CN1CCCCC1)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 2/20 0.51
▸ HTR3E A5X5Y0 1/20 0.51
▸ HTR3B O95264 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ HTR3A P46098 1/20 0.51
▸ HTR3D Q70Z44 1/20 0.51
▸ HTR3C Q8WXA8 1/20 0.51
▸ F10 P00742 5/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ EPHX1 P07099 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MCHR1 Q99705 1/20 0.45
▸ F2 P00734 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ KDM4E B2RXH2 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
SCHEMBL14392352 1.00 CHRNA7 (0.51) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL14368703 1.00 CHRNA7 (0.51) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL14392754 0.88 CCR3 (0.48) CHRNA7F10ALDH1A1MCHR1NPC1
SCHEMBL27778271 0.88 CCR3 (0.48) CHRNA7F10ALDH1A1MCHR1NPC1
SCHEMBL27778441 0.88 CCR3 (0.48) F10ALDH1A1EPHX1NPC1RAB9A
SCHEMBL14368724 0.88 CCR3 (0.48) F10ALDH1A1EPHX1NPC1RAB9A
SCHEMBL27757345 0.88 SSTR3 (0.55) NPC1RAB9A
SCHEMBL14368700 0.88 CCR3 (0.48) CHRNA7F10ALDH1A1MCHR1NPC1
SCHEMBL14368669 0.88 SSTR3 (0.55) NPC1RAB9A
SCHEMBL4429053 0.87 CCR3 (0.50) ALDH1A1NPC1RAB9AKMT2A

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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