SCHEMBL8327787

SCHEMBL8327787

CC1(C)CCCC1N(Cc1ccccc1)C1=COCO1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.34
KCNH2 Q12809 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
SLC18A3 Q16572 1/20 0.32
ALDH1A1 P00352 1/20 0.30
TRPA1 O75762 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL3604523 0.77 YTHDC1 (0.36) NPSR1KDM4EATMTDP1SLC18A3
SCHEMBL14873970 0.77 KDM4E (0.41) CCR5NPSR1KDM4EATMTDP1
SCHEMBL6393397 0.72 SLC6A2 (0.49)
SCHEMBL761128 0.71 TSHR (0.45) KCNH2ALDH1A1OPRM1OPRL1LMNA
SCHEMBL8327042 0.69 SLC18A3 (0.34) CCR5KCNH2NPSR1KDM4EATM
SCHEMBL1238800 0.67 OPRM1 (0.39) ATMSLC18A3OPRM1
SCHEMBL2504679 0.67 AOC3 (0.41) NPSR1ALDH1A1
SCHEMBL22553534 0.66 SLC18A3 (0.41) CCR5NPSR1KDM4EATMTDP1
SCHEMBL22553535 0.66 SLC18A3 (0.41) CCR5NPSR1KDM4EATMTDP1
SCHEMBL15191721 0.66 SLC18A3 (0.41) CCR5NPSR1KDM4EATMTDP1

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
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
US-5889178-A N-(2,2-DIPHENYLETHYL)-DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-03-30 US disclosed