SCHEMBL7516797

SCHEMBL7516797

O=C(NCC[C]1CCCCCCC1)c1cc(CBr)ccc1Cl.[CH2].[CH2]

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 1/20 0.42
P2RX7 Q99572 4/20 0.42
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 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
SCHEMBL5334659 0.87 CYP4F2 (0.46) CYP4F2CYP4A11HPGDP2RX7KMT2A
SCHEMBL7556199 0.80 P2RX7 (0.62) P2RX7GAA
SCHEMBL5142841 0.78 NPC1 (0.44) NPC1RAB9AP2RX7KMT2AMEN1
SCHEMBL7667287 0.75 P2RX7 (0.67) P2RX7
SCHEMBL5336406 0.74 PPARA (0.46) P2RX7KMT2AMEN1LMNA
SCHEMBL6485285 0.74 P2RX7 (0.53) HPGDP2RX7KMT2AMEN1LMNA
SCHEMBL7552476 0.73 HPGD (0.54) HPGDP2RX7CYP1A2KMT2AMEN1
SCHEMBL7555910 0.73 POLB (0.43) RAB9AHPGDKMT2AMEN1HDAC6
SCHEMBL4116624 0.72 P2RX7 (0.64) P2RX7KMT2AMEN1LMNA
SCHEMBL7077870 0.72 P2RX7 (0.54) P2RX7

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
EP-1171432-A1 ADAMANTANE DERIVATIVES AstraZeneca AB (SE) 2002-01-16 EP disclosed
WO-2000061569-A1 ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2000-10-19 WO disclosed