SCHEMBL7658512

SCHEMBL7658512

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.54
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLA1 P09884 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MT-CO2 P00403 1/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.39
GFER P55789 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 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
SCHEMBL7518675 0.89 ESRRB (0.49) P2RX7TP53POLA1HPGDPOLB
SCHEMBL8081000 0.87 CA1 (0.55) P2RX7MEN1KMT2ALMNATP53
SCHEMBL7971490 0.85 NPC1 (0.51) P2RX7MEN1KMT2ALMNATP53
SCHEMBL7552476 0.85 HPGD (0.54) P2RX7MEN1KMT2AHPGDCYP1A2
SCHEMBL7560739 0.85 P2RX7 (0.55) P2RX7MEN1KMT2ALMNATP53
SCHEMBL4101685 0.85 MEN1 (0.42) P2RX7MEN1KMT2ALMNATP53
SCHEMBL5334659 0.84 CYP4F2 (0.46) P2RX7MEN1KMT2ALMNATP53
SCHEMBL7554542 0.84 EPHX2 (0.49) P2RX7MEN1KMT2ALMNATP53
SCHEMBL7560196 0.83 MEN1 (0.40) P2RX7MEN1KMT2ALMNATP53
SCHEMBL7592357 0.81 HPGD (0.54) P2RX7LMNASMN1; SMN2HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492355-B1 Adamantane derivatives ASTRAZENECA AB (SE) 2002-12-10 US disclosed
EP-1036059-A1 ADAMANTANE DERIVATIVES AstraZeneca UK Limited (GB) 2000-09-20 EP disclosed
WO-1999029661-A1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 1999-06-17 WO disclosed