SCHEMBL29660974

SCHEMBL29660974

C#CC1(NC(=O)c2ccccn2)CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 3/20 0.50
GRM5 P41594 4/20 0.48
FPR2 P25090 1/20 0.48
GAA P10253 3/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 1/20 0.44
TLR7 Q9NYK1 1/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
GRM4 Q14833 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42

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
SCHEMBL30044683 0.86 ANO1 (0.54) ANO1GRM5FPR2GAALMNA
SCHEMBL29660803 0.79 ANO1 (0.56) ANO1GRM5FPR2GAATDP1
SCHEMBL5836837 0.79 GRM5 (0.54) GRM5FPR2GAALMNAMAPT
SCHEMBL7188498 0.79 GRM5 (0.54) GRM5FPR2GAALMNAMAPT
SCHEMBL28911964 0.78 GAA (0.51) GRM5FPR2GAALMNAMAPT
SCHEMBL4097011 0.77 GRM4 (0.41) ANO1LMNAMAPTKDM4EKMT2A
SCHEMBL1840355 0.75 GAA (0.60) GRM5FPR2GAALMNAMAPT
SCHEMBL30043736 0.75 GRM5 (0.57) ANO1GRM5FPR2GAALMNA
SCHEMBL29836003 0.74 GRM5 (0.53) ANO1GRM5FPR2GAALMNA
SCHEMBL30043260 0.74 ANO1 (0.59) ANO1GRM4

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-4003516-A1 PYRIDINE DERIVATIVES AS TMEM16A MODULATORS FOR USE IN THE TREATMENT OF RESPIRATORY CONDITIONS TMEM16A LIMITED (GB) 2022-06-01 EP claimed
CN-114929683-A Pyridine derivatives as calcium-activated chloride channel modulators 跨膜蛋白16A有限公司 2022-08-19 CN disclosed