SCHEMBL14444082

SCHEMBL14444082

N[C@H](Cc1cnc[nH]1)C(=O)N1CCc2[nH]c(=O)c3ccccc3c2C1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NLN Q9BYT8 3/20 0.64
▸ PARP1 P09874 7/20 0.56
▸ DPP7 Q9UHL4 1/20 0.43
▸ DPP4 P27487 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ SLC7A5 Q01650 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ BAZ2B Q9UIF8 1/20 0.42
▸ TLR9 Q9NR96 1/20 0.41
▸ TLR8 Q9NR97 1/20 0.41
▸ TLR7 Q9NYK1 1/20 0.41

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
SCHEMBL8359466 0.83 PARP1 (0.66) PARP1LMNAMAPTBAZ2B
SCHEMBL8359720 0.81 PARP1 (0.56) NLNPARP1LMNAMAPTBAZ2B
SCHEMBL8359478 0.81 PARP1 (0.60) PARP1LMNAMAPTBAZ2B
SCHEMBL8359708 0.81 PARP1 (0.60) PARP1LMNAMAPTBAZ2B
SCHEMBL8359603 0.78 PARP1 (0.74) PARP1LMNAMAPTBAZ2B
SCHEMBL8359594 0.77 PARP1 (0.63) PARP1CYP3A4LMNAMAPTBAZ2B
SCHEMBL8359606 0.75 PARP1 (0.61) PARP1CYP3A4LMNAMAPTBAZ2B
SCHEMBL8359607 0.75 PARP1 (0.61) PARP1LMNAMAPTBAZ2B
SCHEMBL8360522 0.75 HDAC8 (0.57) PARP1
SCHEMBL8360529 0.74 PARP1 (0.51) NLNPARP1

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
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
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