SCHEMBL7864022

SCHEMBL7864022

Cc1c(N)cc(N)cc1C(=O)NCC12CCCC(CCC1)C2.[CH2]

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 15/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CNR2 P34972 1/20 0.37
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35

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
SCHEMBL7568584 0.84 P2RX7 (0.62) P2RX7MEN1KMT2AALDH1A1
SCHEMBL7690936 0.80 P2RX7 (0.73) P2RX7
SCHEMBL7862766 0.75 MEN1 (0.43) P2RX7MEN1KMT2AALDH1A1CNR2
SCHEMBL8086064 0.75 P2RX7 (0.73) P2RX7
SCHEMBL8080956 0.73 P2RX7 (0.54) P2RX7
SCHEMBL8071736 0.72 KDM4E (0.46) P2RX7MEN1KMT2AALDH1A1KDM4E
SCHEMBL7517360 0.71 P2RX7 (0.72) P2RX7
SCHEMBL8071740 0.71 NPC1 (0.53) P2RX7MEN1KMT2AALDH1A1KDM4E
SCHEMBL6497265 0.70 P2RX7 (0.56) P2RX7
SCHEMBL8080894 0.70 P2RX7 (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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