SCHEMBL27757464

SCHEMBL27757464

COCCOc1ccc(C(=O)NC2CCCCC2CN2CCC(C)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 9/20 0.52
▸ KMT2A Q03164 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ HPGD P15428 1/20 0.44

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
SCHEMBL5662592 1.00 HRH3 (0.52) HRH3KMT2AKDM4EALDH1A1MEN1
SCHEMBL4423115 0.92 KDM4E (0.47) HRH3KMT2AKDM4EALDH1A1
SCHEMBL14392597 0.92 KDM4E (0.47) HRH3KMT2AKDM4EALDH1A1
SCHEMBL4423112 0.92 KDM4E (0.47) HRH3KMT2AKDM4EALDH1A1
SCHEMBL14368967 0.89 KMT2A (0.52) HRH3KMT2AALDH1A1HPGD
SCHEMBL14368976 0.84 ALDH1A1 (0.47) HRH3KDM4EALDH1A1
SCHEMBL14392706 0.84 CCR3 (0.49) KDM4E
SCHEMBL28779154 0.83 ALDH1A1 (0.53) HRH3KMT2AALDH1A1MEN1HPGD
SCHEMBL14368810 0.83 ALDH1A1 (0.53) HRH3KMT2AALDH1A1MEN1HPGD
SCHEMBL14368980 0.83 ALDH1A1 (0.47) HRH3KDM4EALDH1A1

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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