SCHEMBL6449154

SCHEMBL6449154

c1ccc(C(c2ccccc2)(c2ccccc2)n2cnc(CCN3CCNCC3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
SIGMAR1 Q99720 4/20 0.43
SIRT2 Q8IXJ6 6/20 0.43
SLC6A4 P31645 1/20 0.40
ALDH1A1 P00352 3/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LTA4H P09960 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL8794940 0.78 SIRT2 (0.49) CHRM2CHRM4CHRM1CHRM3SIRT2
SCHEMBL25263647 0.76 SLC6A1 (0.46) ALDH1A1TSHRL3MBTL1LTA4H
SCHEMBL25387022 0.76 SLC6A1 (0.46) ALDH1A1TSHRL3MBTL1LTA4H
SCHEMBL25309637 0.76 SLC6A1 (0.46) ALDH1A1TSHRL3MBTL1LTA4H
SCHEMBL7181950 0.76 ACKR3 (0.45) CHRM2CHRM4CHRM1CHRM3SIGMAR1
SCHEMBL7258203 0.75 SIRT2 (0.43) SIGMAR1SIRT2
SCHEMBL14993551 0.75 SIRT2 (0.49) CHRM2CHRM4CHRM1CHRM3SIRT2
SCHEMBL4382643 0.75 SIRT2 (0.54) SIRT2
SCHEMBL8125239 0.75 SIRT2 (0.49) CHRM2CHRM4CHRM1CHRM3SIRT2
SCHEMBL1041048 0.75 SIRT2 (0.49) SIRT2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090012-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2005-04-06 EP disclosed
US-6562823-B1 Inhibition of farnesyl-protein transferase has been shown to block the growth of Ras-transformed cells in soft agar MERCK & CO., INC. 2003-05-13 US disclosed
EP-1090012-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-11 EP disclosed
WO-2000001702-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-01-13 WO disclosed