SCHEMBL5142841

SCHEMBL5142841

O=C(O)NCCc1ccc(Cl)c(C(=O)NC[C]2CCCCCCC2)c1.[CH2].[CH2]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
P2RX7 Q99572 4/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.39
MAPT P10636 1/20 0.39
PTGS2 P35354 1/20 0.39
PLAAT3 P53816 1/20 0.39
PLAAT5 Q96KN8 1/20 0.39
PLAAT2 Q9NWW9 1/20 0.39
PLAAT4 Q9UL19 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL5336406 0.87 PPARA (0.46) P2RX7LMNAMEN1KMT2ACA1
SCHEMBL6485285 0.84 P2RX7 (0.53) P2RX7LMNAMEN1KMT2ACA1
SCHEMBL5334659 0.83 CYP4F2 (0.46) P2RX7LMNAMEN1KMT2ACA1
SCHEMBL4116624 0.82 P2RX7 (0.64) P2RX7LMNAMEN1KMT2ACA1
Hydrochloric Acid SCHEMBL5960230 0.81 P2RX7 (0.64) P2RX7LMNAMEN1KMT2ACA1
Hydrochloric Acid SCHEMBL5924089 0.81 P2RX7 (0.64) P2RX7LMNAMEN1KMT2ACA1
SCHEMBL8081000 0.81 CA1 (0.55) P2RX7LMNAMEN1KMT2ACA1
SCHEMBL5333690 0.80 P2RX7 (0.52) NPC1RAB9AP2RX7LMNAMEN1
SCHEMBL7554542 0.80 EPHX2 (0.49) P2RX7LMNAMEN1KMT2ACA1
SCHEMBL7658512 0.80 P2RX7 (0.54) P2RX7LMNAMEN1KMT2ACA1

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-7297818-B2 Adamantane derivatives ASTRAZENECA AB (SE) 2007-11-20 US disclosed