SCHEMBL14300982

SCHEMBL14300982

C=Cc1cccc(CN2CCC(C)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 6/20 0.59
▸ HTR7 P34969 4/20 0.52
▸ HRH3 Q9Y5N1 2/20 0.51
▸ FAAH O00519 1/20 0.51
▸ BACE1 P56817 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ PARP1 P09874 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
SCHEMBL611760 0.86 FAAH (0.63) FAAH
SCHEMBL19066596 0.86 FAAH (0.63) FAAH
SCHEMBL610620 0.83 PRMT6 (0.57) ACHEHRH3FAAHKDM4EPOLB
SCHEMBL30889265 0.83 PRMT6 (0.57) ACHEHRH3FAAHKDM4EPOLB
SCHEMBL23916559 0.82 MC4R (0.57) HTR7HRH3FAAH
SCHEMBL609148 0.81 SMN1; SMN2 (0.58) ACHEHRH3FAAHKDM4EPOLB
SCHEMBL817090 0.81 SMN1; SMN2 (0.58) ACHEHRH3FAAHKDM4EPOLB
SCHEMBL14305457 0.81 HRH3 (0.67) ACHEHTR7HRH3BACE1PARP1
SCHEMBL2462639 0.80 ACHE (0.65) ACHEHTR7HRH3KDM4EPOLB
SCHEMBL19066585 0.80 FAAH (0.57) FAAHKDM4EPOLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891954-A2 Acetylcholinesterase inhibitors for improving excretory potency of urinary bladder Takeda Pharmaceutical Company Limited (JP) 2008-02-27 — — EP disclosed
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