SCHEMBL30044005

SCHEMBL30044005

O=C(N[C@@H]1CCC[C@H]1O)c1ccccn1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.65
CNR2 P34972 2/20 0.56
SMYD3 Q9H7B4 1/20 0.51
CNR1 P21554 3/20 0.51
CRBN Q96SW2 1/20 0.50
ANO1 Q5XXA6 4/20 0.49
CYP1A2 P05177 1/20 0.48
GAA P10253 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CHRM1 P11229 3/20 0.47

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
SCHEMBL30043261 1.00 GRM5 (0.65) GRM5CNR2SMYD3CNR1CRBN
SCHEMBL30044657 1.00 GRM5 (0.65) GRM5CNR2SMYD3CNR1CRBN
SCHEMBL30975217 1.00 GRM5 (0.65) GRM5CNR2SMYD3CNR1CRBN
SCHEMBL30044039 1.00 GRM5 (0.65) GRM5CNR2SMYD3CNR1CRBN
SCHEMBL30044931 1.00 GRM5 (0.65) GRM5CNR2SMYD3CNR1CRBN
SCHEMBL30043552 0.97 GRM5 (0.61) GRM5CNR2SMYD3CNR1CRBN
SCHEMBL30043283 0.97 GRM5 (0.61) GRM5CNR2SMYD3CNR1CRBN
SCHEMBL30044693 0.97 GRM5 (0.61) GRM5CNR2SMYD3CNR1CRBN
SCHEMBL23425256 0.88 GRM5 (0.68) GRM5SMYD3CRBNCYP1A2GAA
SCHEMBL7197995 0.88 GRM5 (0.68) GRM5SMYD3CRBNCYP1A2GAA

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
EP-3743406-B9 TMEM16A MODULATORS TMEM16A LTD (GB) 2023-03-08 EP claimed
EP-3743406-B1 TMEM16A MODULATORS TMEM16A LTD (GB) 2022-12-28 EP claimed