SCHEMBL20257513

SCHEMBL20257513

N=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCNC(=O)[C@@H](N)CCc1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 5/20 0.40
FES P07332 1/20 0.39
RET P07949 1/20 0.39
MARK3 P27448 1/20 0.39
TYK2 P29597 1/20 0.39
FLT4 P35916 1/20 0.39
SYK P43405 1/20 0.39
CLK2 P49760 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
EPHX1 P07099 1/20 0.39
EPHX2 P34913 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
KMT2A Q03164 1/20 0.38
NAMPT P43490 1/20 0.38
FAAH O00519 1/20 0.37
ASAH1 Q13510 1/20 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
SCHEMBL20241410 0.92 HDAC8 (0.41) PTAFRFESRETMARK3TYK2
SCHEMBL21528433 0.92 HDAC8 (0.41) PTAFRFESRETMARK3TYK2
SCHEMBL20242089 0.92 FAAH (0.41) NAMPTFAAH
SCHEMBL20241402 0.92 FAAH (0.41) NAMPTFAAH
SCHEMBL20257431 0.92 FAAH (0.38) NAMPTFAAHASAH1
SCHEMBL20257511 0.88 FAAH (0.40) HDAC8KMT2ANAMPTFAAH
SCHEMBL20257512 0.86 EPHX1 (0.38) PTAFRFESRETMARK3TYK2
SCHEMBL7562309 0.85 OPRL1 (0.43) FAAH
SCHEMBL13054036 0.85 OPRL1 (0.43) FAAH
SCHEMBL8203469 0.85 OPRL1 (0.43) FAAH

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-2018106519-A1 HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-06-14 WO disclosed