SCHEMBL8214259

SCHEMBL8214259

O=C(O)c1ccc(N2CCN(Cc3ccccc3-c3ccc(I)cc3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.62
BCL2 P10415 15/20 0.57
BAK1 Q16611 6/20 0.57
BCL2L1 Q07817 10/20 0.52

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
SCHEMBL1956895 0.92 HTR7 (0.74) HTR7BCL2BAK1BCL2L1
SCHEMBL29846744 0.88 BCL2 (0.71) HTR7BCL2BAK1BCL2L1
SCHEMBL1741405 0.88 BCL2 (0.71) HTR7BCL2BAK1BCL2L1
SCHEMBL26682055 0.82 HTR7 (0.60) HTR7BCL2BAK1BCL2L1
SCHEMBL19014872 0.82 BCL2 (0.62) BCL2BAK1BCL2L1
SCHEMBL26683082 0.79 HTR7 (0.53) HTR7BCL2BAK1BCL2L1
SCHEMBL20778266 0.78 BCL2 (0.70) HTR7BCL2BAK1BCL2L1
SCHEMBL30688260 0.78 BCL2 (0.70) HTR7BCL2BAK1BCL2L1
SCHEMBL27688816 0.78 HRH3 (0.52) HTR7BCL2BAK1
SCHEMBL15938148 0.78 HTR7 (1.00) HTR7

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
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 WO disclosed