SCHEMBL6943637

SCHEMBL6943637

COc1cccc(C2C3CC4CC(C3)CC2(CC(N)=O)C4)c1C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.48
CNR2 P34972 5/20 0.41
KMT2A Q03164 7/20 0.39
MEN1 O00255 4/20 0.39
NPC1 O15118 2/20 0.39
FAAH O00519 2/20 0.38
EPHX2 P34913 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HSD11B1 P28845 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
SCHEMBL6945341 0.85 P2RX7 (0.34) P2RX7CNR2KMT2AMEN1FAAH
SCHEMBL6942683 0.76 ALDH1A1 (0.40) P2RX7KMT2AMEN1FAAHEPHX2
SCHEMBL6941692 0.72 STS (0.34) P2RX7CNR2KMT2AMEN1EPHX2
SCHEMBL6684733 0.72 HTR2A (0.44) P2RX7CNR2KMT2AMEN1FAAH
SCHEMBL6941696 0.71 P2RX7 (0.40) P2RX7KMT2AMEN1FAAHEPHX2
Hydrochloric Acid SCHEMBL6687045 0.71 HTR2C (0.46) P2RX7CNR2KMT2AMEN1FAAH
SCHEMBL6941341 0.65 P2RX7 (1.00) P2RX7KMT2AEPHX2
SCHEMBL6680351 0.64 EPHX2 (0.41) P2RX7KMT2AMEN1EPHX2SMN1; SMN2
SCHEMBL28144676 0.63 ALDH1A1 (0.39) KMT2AMEN1NPC1ALDH1A1HSD11B1
SCHEMBL6085448 0.63 SMN1; SMN2 (0.54) P2RX7CNR2KMT2AMEN1FAAH

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
EP-1036058-B1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LTD (GB) 2003-03-12 EP claimed