SCHEMBL27778266

SCHEMBL27778266

O=C(NC1CCCCC1CN1CCCCC1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.48
▸ TAS1R3 Q7RTX0 1/20 0.47
▸ TAS1R1 Q7RTX1 1/20 0.47
▸ TAS1R2 Q8TE23 1/20 0.47
▸ KDM2B Q8NHM5 1/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ PREP P48147 1/20 0.45
▸ EPHX2 P34913 4/20 0.44
▸ EPHX1 P07099 1/20 0.44
▸ CHRM4 P08173 1/20 0.43
▸ PTGES O14684 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 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
SCHEMBL14368747 1.00 HRH3 (0.48) HRH3TAS1R3TAS1R1TAS1R2KDM2B
SCHEMBL14392349 0.85 KMT2A (0.55) ALDH1A1POLB
SCHEMBL14368693 0.85 KMT2A (0.55) ALDH1A1POLB
SCHEMBL14368689 0.85 ALDH1A1 (0.53) ALDH1A1
SCHEMBL14392659 0.85 ALDH1A1 (0.53) ALDH1A1
SCHEMBL27757308 0.85 ALDH1A1 (0.53) ALDH1A1
SCHEMBL14368669 0.84 SSTR3 (0.55) HTR2A
SCHEMBL27757345 0.84 SSTR3 (0.55) HTR2A
SCHEMBL14392688 0.82 MEN1 (0.48) KDM4EALDH1A1
SCHEMBL14368692 0.82 MEN1 (0.48) KDM4EALDH1A1

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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