SCHEMBL6132250

SCHEMBL6132250

COC1(c2ccc(Cl)cc2)CCN(c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
HTT P42858 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
MAPT P10636 5/20 0.52
LMNA P02545 3/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
CYP2C19 P33261 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
STS P08842 1/20 0.47
GPR119 Q8TDV5 5/20 0.46
TSHR P16473 1/20 0.46
NAMPT P43490 1/20 0.46
TP53 P04637 1/20 0.44
ALOX5 P09917 1/20 0.44

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
SCHEMBL558749 0.90 MEN1 (0.54) SMN1; SMN2HTTNPSR1MEN1KMT2A
SCHEMBL1458941 0.86 SMN1; SMN2 (0.70) SMN1; SMN2HTTNPSR1MAPTLMNA
SCHEMBL1779228 0.82 SMN1; SMN2 (0.57) SMN1; SMN2HTTNPSR1MAPTLMNA
SCHEMBL1257264 0.81 MEN1 (0.70) SMN1; SMN2HTTNPSR1MAPTLMNA
SCHEMBL31084016 0.80 MEN1 (0.50) SMN1; SMN2HTTNPSR1MEN1KMT2A
Hydrochloric Acid SCHEMBL6132929 0.79 ENPP2 (0.50) SMN1; SMN2NPSR1MAPTLMNAALDH1A1
SCHEMBL5573222 0.79 MAPT (0.76) SMN1; SMN2HTTNPSR1MAPTLMNA
SCHEMBL31276408 0.79 NPSR1 (0.51) SMN1; SMN2HTTNPSR1MAPTLMNA
SCHEMBL31342184 0.79 HTT (0.54) SMN1; SMN2HTTNPSR1MAPTLMNA
SCHEMBL24310164 0.78 ESR2 (0.46) SMN1; SMN2MAPTLMNAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed
EP-1173472-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-23 EP disclosed
WO-2000064927-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 WO disclosed