SCHEMBL4753181

SCHEMBL4753181

CCC(Oc1cc(Br)cc2c1OC(C)(C)C2)N1CCN(c2cn[nH]c(=O)c2Cl)CC1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.44
ALDH1A1 P00352 3/20 0.41
TIPARP Q7Z3E1 7/20 0.36
TRPC5 Q9UL62 7/20 0.36

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
SCHEMBL4750439 0.79 SMN1; SMN2 (0.36) ALDH1A1
SCHEMBL4812505 0.70 LMNA (0.41) ALDH1A1
SCHEMBL4752995 0.69 GAA (0.51) ALDH1A1
SCHEMBL4752471 0.67 OPRM1 (0.42)
Hydrochloric Acid SCHEMBL4752998 0.67
SCHEMBL4750799 0.65 POLB (0.42) POLBALDH1A1
SCHEMBL4750480 0.64 ALDH1A1 (0.39) POLBALDH1A1
SCHEMBL11916248 0.64 POLB (1.00) POLBALDH1A1TIPARPTRPC5
Hydrochloric Acid SCHEMBL4788651 0.64 GAA (0.57) ALDH1A1
SCHEMBL20831745 0.64 POLB (0.73) POLBALDH1A1TIPARPTRPC5

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
WO-2008146064-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR (HU) 2008-12-04 WO disclosed