SCHEMBL8359466

SCHEMBL8359466

N[C@H](Cc1ccccc1)C(=O)N1CCc2[nH]c(=O)c3ccccc3c2C1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 9/20 0.66
▸ HDAC8 Q9BY41 5/20 0.57
▸ MAPT P10636 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ BAZ2B Q9UIF8 1/20 0.50
▸ AKT1 P31749 1/20 0.44
▸ AKT2 P31751 1/20 0.44
▸ AKT3 Q9Y243 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ GAA P10253 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
SCHEMBL8359708 0.93 PARP1 (0.60) PARP1HDAC8MAPTLMNABAZ2B
SCHEMBL8359478 0.93 PARP1 (0.60) PARP1HDAC8MAPTLMNABAZ2B
SCHEMBL8360522 0.91 HDAC8 (0.57) PARP1HDAC8AKT1AKT2AKT3
SCHEMBL8359603 0.86 PARP1 (0.74) PARP1MAPTLMNABAZ2BTAAR1
SCHEMBL8360523 0.84 HDAC8 (0.59) PARP1HDAC8
SCHEMBL8360527 0.84 HDAC8 (0.59) PARP1HDAC8
SCHEMBL14444082 0.83 NLN (0.64) PARP1MAPTLMNABAZ2B
SCHEMBL8359720 0.83 PARP1 (0.56) PARP1HDAC8MAPTLMNABAZ2B
SCHEMBL8359594 0.83 PARP1 (0.63) PARP1MAPTLMNABAZ2BTAAR1
SCHEMBL8359606 0.81 PARP1 (0.61) PARP1MAPTLMNABAZ2BTAAR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247641-B2 Compounds, derivatives, compositions, preparation and uses MGI GP, INC. (US) 2007-07-24 — — US disclosed
US-7247641-B2 Compounds, derivatives, compositions, preparation and uses MGI GP, INC. (US) 2007-07-24 — — US disclosed
WO-2003014121-A9 COMPOUNDS, DERIVATIVES, COMPOSITIONS, PREPARATION AND USES GUILFORD PHARM INC (US) 2004-03-25 — — WO disclosed
WO-2003014121-A1 COMPOUNDS, DERIVATIVES, COMPOSITIONS, PREPARATION AND USES GUILFORD PHARMACEUTICALS INC. (US) 2003-02-20 — — WO disclosed
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