SCHEMBL5227968

SCHEMBL5227968

O=C(O)Oc1cc2c(s1)c(C1CCCCC1)c(-c1ccc(Cl)cc1)n2CC(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
CDYL2 Q8N8U2 4/20 0.40
CDYL Q9Y232 4/20 0.40
CBX7 O95931 3/20 0.40
TACR1 P25103 1/20 0.39
CDY1; CDY1B Q9Y6F8 2/20 0.39
ACHE P22303 1/20 0.39
APP P05067 2/20 0.35
SCN5A Q14524 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34

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
SCHEMBL5232441 0.92 GAA (0.40) HRH3POLBGAATSHRCDYL2
SCHEMBL5238339 0.89 MAPK1 (0.42) POLBGAAALDH1A1
SCHEMBL2996472 0.88 POLB (0.42) HRH3POLBGAATSHRCDYL2
SCHEMBL5234525 0.82 SLC8A1 (0.33) TACR1
SCHEMBL5232300 0.82 CYP2D6 (0.33)
SCHEMBL5230063 0.81 EGFR (0.41) GAACDYL2CDYLCBX7CDY1; CDY1B
SCHEMBL5234725 0.81 EGFR (0.42) ALDH1A1
SCHEMBL5232857 0.80 FKBP1A (0.38) POLBALDH1A1
SCHEMBL5236137 0.80 GRIN1 (0.46) POLBGAAALDH1A1
SCHEMBL2996646 0.80 GAA (0.42) HRH3POLBGAATSHRCDYL2

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-1664059-B1 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2007-09-12 EP claimed