SCHEMBL13005679

SCHEMBL13005679

Cc1cccc(C)c1CN(Cc1cccc(CC(C)C)c1)C(CN(C)C)CN(C)C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
CETP P11597 1/20 0.35
HTR7 P34969 2/20 0.31
S1PR1 P21453 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
TSHR P16473 1/20 0.31
RECQL P46063 1/20 0.31
NMT1 P30419 2/20 0.30

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
SCHEMBL13060694 0.88 HTR7 (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13005495 0.81 OPRK1 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13005632 0.80 HPGD (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13005518 0.80 CETP (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13005515 0.80 CETP (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13005670 0.78 HTR7 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13005557 0.78 SIGMAR1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13005506 0.77 OPRM1 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13005611 0.76 CETP (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13005613 0.76 GAA (0.39) CETP

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
US-7851637-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2010-12-14 US disclosed