SCHEMBL23289886

SCHEMBL23289886

O=C1NC(Cc2ccccn2)C2(CCN(C3CC4CCC(C3)N4C(=O)O)CC2)O1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 1/20 0.35
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD11B1 P28845 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL17101275 0.89 CHRM1 (0.41) KDM4EOPRD1ALDH1A1CHRM2CHRM1
SCHEMBL17101500 0.83 L3MBTL1 (0.32) KDM4EL3MBTL1SMN1; SMN2ALDH1A1TSHR
SCHEMBL23289874 0.79 CHRM1 (0.30) CHRM1
SCHEMBL17101486 0.77 OPRL1 (0.46) KDM4ESMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL17101501 0.75 SMN1; SMN2 (0.37) KDM4EL3MBTL1SMN1; SMN2OPRM1OPRD1
SCHEMBL29822545 0.75 SMN1; SMN2 (0.37) KDM4EL3MBTL1SMN1; SMN2OPRM1OPRD1
SCHEMBL20942431 0.74 ALDH1A1 (0.35) KDM4EOPRD1ALDH1A1CHRM1TSHR
SCHEMBL22653213 0.74 OPRD1 (0.31) KDM4EOPRD1ALDH1A1
SCHEMBL23289877 0.74 OPRL1 (0.31) OPRL1
SCHEMBL23289903 0.72 OPRL1 (0.34) OPRM1OPRK1OPRL1

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-3119396-B1 MUSCARINIC RECEPTOR AGONISTS HEPTARES THERAPEUTICS LTD (GB) 2021-05-05 EP claimed