SCHEMBL8071740

SCHEMBL8071740

COc1cc(OC)cc(C(=O)NCC23CCCC(CCC2)C3)c1.[CH2]

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
KMT2A Q03164 2/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.46
P2RX7 Q99572 2/20 0.46
TSHR P16473 1/20 0.45
KCNH2 Q12809 3/20 0.45
HDAC11 Q96DB2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL7570486 0.83 P2RX7 (0.64) NPC1KMT2AHPGDALDH1A1MEN1
SCHEMBL7514220 0.78 P2RX7 (0.68) HPGDALDH1A1POLBGAAP2RX7
SCHEMBL7864022 0.71 P2RX7 (0.46) KMT2AALDH1A1MEN1KDM4EP2RX7
SCHEMBL7522787 0.70 P2RX7 (0.58) P2RX7
SCHEMBL7517506 0.69 P2RX7 (0.57) P2RX7
SCHEMBL8080956 0.69 P2RX7 (0.54) P2RX7
SCHEMBL8437113 0.69 KDM4E (0.71) NPC1KMT2AHPGDALDH1A1POLB
SCHEMBL14708779 0.68 NPC1 (0.53) NPC1KMT2AHPGDKDM4EGAA
SCHEMBL8084055 0.68 HSD17B10 (0.56) KMT2AHPGDALDH1A1P2RX7TSHR
SCHEMBL6497265 0.68 P2RX7 (0.56) HPGDP2RX7

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-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