SCHEMBL23797993

SCHEMBL23797993

COc1ccc2c(n1)C1(CCC(N3CCCN(C)CC3)CC1)C(=O)N2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.37
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR1F P30939 1/20 0.36
ACVR1 Q04771 3/20 0.35
EHMT2 Q96KQ7 2/20 0.34
HTR7 P34969 1/20 0.33
IP6K1 Q92551 4/20 0.33
HRH3 Q9Y5N1 3/20 0.33
TLR9 Q9NR96 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
KCNH2 Q12809 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OGFRL1 Q5TC84 1/20 0.31

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
SCHEMBL23798667 0.86 ACVR1 (0.36) ACVR1EHMT2HTR7IP6K1HRH3
SCHEMBL23778276 0.86 HRH3 (0.38) OPRL1IP6K1HRH3KCNH2
SCHEMBL20066067 0.83 MAPK1 (0.41) HRH3
SCHEMBL23798608 0.79 ACVR1 (0.35) ACVR1IP6K1TLR9TLR7
SCHEMBL23799162 0.78 FLT3 (0.42) OPRL1HTR7HRH3OPRM1OPRK1
SCHEMBL23778372 0.78 PRKCB (0.34) OPRL1IP6K1
SCHEMBL23799149 0.76 MAOA (0.41) OPRL1ACVR1HRH3OPRM1OPRK1
SCHEMBL23798701 0.75 OPRM1 (0.51) OPRL1HTR7OPRM1OPRK1
SCHEMBL23798666 0.74 CYP1A2 (0.39) OPRL1HTR7OPRM1OPRD1OPRK1
SCHEMBL23798691 0.74 OPRM1 (0.38) OPRL1HTR7HRH3L3MBTL3L3MBTL1

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-3526207-B1 HETEROCYCLIC COMPOUNDS HAVING ACTIVITY AS MODULATORS OF MUSCARINIC M1 AND/OR M4 RECEPTORS IN THE TREATMENT OF CNS DISEASES AND PAINS. HEPTARES THERAPEUTICS LTD (GB) 2021-09-08 EP disclosed