SCHEMBL7041710

SCHEMBL7041710

CCC(C(=O)N1CC2CCCCC2C1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.57
▸ KDM4E B2RXH2 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ TSHR P16473 3/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ LMNA P02545 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ BCHE P06276 1/20 0.48
▸ CHRM1 P11229 3/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CHRM3 P20309 1/20 0.45
▸ SMN1; SMN2 Q16637 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
SCHEMBL7037673 0.84 CHRM1 (0.45) ALDH1A1KDM4ECHRM1CHRM3
SCHEMBL22699087 0.79 KMT2A (0.61) ALDH1A1KDM4EGAATSHRL3MBTL1
SCHEMBL20343486 0.77 LMNA (0.44) LMNAMAPK1CHRM1HSD17B10CHRM3
SCHEMBL27225773 0.77 KDM4E (0.66) ALDH1A1KDM4EGAATSHRL3MBTL1
SCHEMBL11028736 0.73 ACE (0.55) ALDH1A1KDM4EGAALMNAHSD17B10
SCHEMBL21383627 0.73 ALDH1A1 (0.68) ALDH1A1KDM4EGAATSHRL3MBTL1
SCHEMBL13429539 0.73 GAA (0.65) ALDH1A1KDM4EGAATSHRL3MBTL1
SCHEMBL21484989 0.73 EPHX2 (0.53) GAA
SCHEMBL10347147 0.72 HRH3 (0.51) ALDH1A1KDM4EGAA
SCHEMBL9352454 0.71 ACE (0.43) ALDH1A1GAATSHRMAPK1CHRM1

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-1037637-B1 USE OF 5HT1A RECEPTOR ANTAGONISTS FOR PREVENTING AND/OR TREATING TEMPORAL LOBE EPILEPSY UNIV PRINCETON (US) 2003-03-19 — — EP disclosed
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