SCHEMBL7862766

SCHEMBL7862766

Cc1c(C(=O)NCC23CCCC(CCC2)C3)cc([N+](=O)[O-])cc1[N+](=O)[O-].[CH2]

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.39
LMNA P02545 3/20 0.39
P2RX7 Q99572 6/20 0.38
DRD2 P14416 1/20 0.37
HTT P42858 1/20 0.37
CNR2 P34972 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL7571757 0.86 MEN1 (0.53) MEN1KMT2AL3MBTL1POLBALDH1A1
SCHEMBL7455062 0.80 SMN1; SMN2 (0.55) MEN1KMT2ALMNAP2RX7SMN1; SMN2
SCHEMBL8081036 0.76 P2RX7 (0.52) LMNAP2RX7THRB
SCHEMBL7864022 0.75 P2RX7 (0.46) MEN1KMT2AALDH1A1P2RX7CNR2
SCHEMBL11604066 0.71 KMT2A (0.60) MEN1KMT2AL3MBTL1POLBALDH1A1
SCHEMBL8071740 0.69 NPC1 (0.53) MEN1KMT2AL3MBTL1POLBALDH1A1
SCHEMBL11326653 0.68 KMT2A (0.60) MEN1KMT2AL3MBTL1POLBALDH1A1
SCHEMBL11829901 0.68 KMT2A (0.51) MEN1KMT2AL3MBTL1POLBALDH1A1
SCHEMBL7517360 0.68 P2RX7 (0.72) P2RX7
SCHEMBL7690936 0.67 P2RX7 (0.73) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6303659-B2 Compounds ASTRAZENECA AB (SE) 2001-10-16 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