SCHEMBL8327042

SCHEMBL8327042

CC1(C)CCCC1N(Cc1ccccc1)C1OC=CO1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
NPSR1 Q6W5P4 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
OPRM1 P35372 3/20 0.33
OPRL1 P41146 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.32
CCR5 P51681 2/20 0.32
KCNH2 Q12809 1/20 0.32
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
G6PC1 P35575 1/20 0.31
CA2 P00918 1/20 0.31
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31

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
SCHEMBL14873970 0.78 KDM4E (0.41) SLC18A3DDB1CRBNNPSR1KDM4E
SCHEMBL8327787 0.69 CCR5 (0.34) SLC18A3NPSR1KDM4EATMTDP1
SCHEMBL22553535 0.67 SLC18A3 (0.41) SLC18A3NPSR1KDM4EATMTDP1
SCHEMBL22553534 0.67 SLC18A3 (0.41) SLC18A3NPSR1KDM4EATMTDP1
SCHEMBL15191721 0.67 SLC18A3 (0.41) SLC18A3NPSR1KDM4EATMTDP1
SCHEMBL22553624 0.64 LMNA (0.43) SLC18A3NPSR1OPRM1ALDH1A1LMNA
SCHEMBL12745062 0.61 ALDH1A1 (0.46) SLC18A3DDB1CRBNALDH1A1KCNH2
SCHEMBL24434663 0.60 OPRM1 (0.58) NPSR1OPRM1OPRL1ALDH1A1LMNA
SCHEMBL10709827 0.60 SLC6A2 (0.56) SLC18A3NPSR1KDM4EALDH1A1CYP3A4
SCHEMBL11115148 0.60 SLC6A2 (0.56) SLC18A3NPSR1KDM4EALDH1A1CYP3A4

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-5925624-A ANTIINFLAMMATORY AGENTS TREATING PATIENTS WITH INFLAMMATORY CONDITIONS SUSCEPTIBLE TO LEUKOCYTE-INDUCED TISSUE DAMAGE GLAXO GROUP LIMITED (GB) 1999-07-20 US disclosed