SCHEMBL27778286

SCHEMBL27778286

CCCCc1ccccc1C(=O)NC1CCCCC1CN1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.43
▸ CNR2 P34972 3/20 0.43
▸ CCR5 P51681 1/20 0.40
▸ CCR3 P51677 6/20 0.39
▸ TAS1R3 Q7RTX0 2/20 0.38
▸ TAS1R1 Q7RTX1 2/20 0.38
▸ TAS1R2 Q8TE23 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL14392660 0.85 CCR3 (0.40) CNR2CCR3TAS1R3TAS1R1TAS1R2
SCHEMBL14368712 0.81 L3MBTL1 (0.53) CCR3MEN1KMT2A
SCHEMBL28783271 0.81 L3MBTL1 (0.53) CCR3MEN1KMT2A
SCHEMBL14368778 0.80 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL27757451 0.80 CCR3 (0.48) CCR3MEN1KMT2ANPC1RAB9A
SCHEMBL28944630 0.80 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL14368806 0.77 CCR3 (0.50) CCR3KMT2ANPC1RAB9A
SCHEMBL4429053 0.77 CCR3 (0.50) CCR3KMT2ANPC1RAB9A
SCHEMBL14368805 0.76 PLK1 (0.44) CCR3KMT2ANPC1RAB9A
SCHEMBL14368810 0.76 ALDH1A1 (0.53) MEN1KMT2A

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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