SCHEMBL6132956

SCHEMBL6132956

CC(=O)N1CCN(c2ccc(N3CCC4(CCCC4)CC3)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.69
CYP2C19 P33261 6/20 0.67
CYP2C9 P11712 5/20 0.67
ALDH1A1 P00352 5/20 0.67
HSD17B10 Q99714 4/20 0.67
MAPK1 P28482 4/20 0.67
HPGD P15428 4/20 0.67
CYP1A2 P05177 3/20 0.67
ALOX12 P18054 1/20 0.67
TSHR P16473 1/20 0.66
CASP6 P55212 1/20 0.61
GFER P55789 1/20 0.61
CYP3A4 P08684 5/20 0.57
HIF1A Q16665 2/20 0.57
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
MAPT P10636 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALOX15 P16050 1/20 0.56
CYP2D6 P10635 1/20 0.55

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
SCHEMBL23126615 0.83 CASP6 (0.73) USP2CYP2C19CYP2C9ALDH1A1HSD17B10
SCHEMBL6132593 0.79 GFER (0.59) USP2CYP2C19CYP2C9ALDH1A1HSD17B10
SCHEMBL3096735 0.79 CYP2C9 (1.00) USP2CYP2C19CYP2C9ALDH1A1HSD17B10
SCHEMBL18711490 0.78 USP2 (0.55) USP2CYP2C19CYP2C9ALDH1A1HSD17B10
SCHEMBL82046 0.78 GFER (0.71) CYP2C19CYP2C9ALDH1A1HSD17B10MAPK1
SCHEMBL1128293 0.78 GFER (0.71) CYP2C19CYP2C9ALDH1A1MAPK1HPGD
Hydrochloric Acid SCHEMBL6133093 0.77 KDM4E (0.57) USP2CYP2C19CYP2C9ALDH1A1HSD17B10
SCHEMBL2951680 0.77 KDM4E (0.60) USP2CYP2C19CYP2C9ALDH1A1HSD17B10
SCHEMBL10512362 0.77 GFER (0.65) USP2CYP2C19CYP2C9ALDH1A1HSD17B10
SCHEMBL10466780 0.77 USP2 (0.53) USP2CYP2C19CYP2C9ALDH1A1HSD17B10

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