SCHEMBL6132593

SCHEMBL6132593

CC(=O)N1CCN(c2ccc(N3CCC4(CC3)OCCO4)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 3/20 0.59
CASP6 P55212 1/20 0.59
MAPT P10636 7/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
USP2 O75604 2/20 0.55
ALDH1A1 P00352 7/20 0.54
ALOX12 P18054 5/20 0.54
MAPK1 P28482 4/20 0.54
CYP2C9 P11712 3/20 0.54
CYP2C19 P33261 3/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
CYP1A2 P05177 1/20 0.54
TSHR P16473 2/20 0.52
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
LGMN Q99538 1/20 0.48
AKR1C3 P42330 1/20 0.48
GAA P10253 4/20 0.47

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
SCHEMBL6074502 0.83 MAPT (0.54) MAPTMEN1KMT2AALDH1A1TSHR
Hydrochloric Acid SCHEMBL6132612 0.80 KDM4E (0.50) USP2ALDH1A1HPGDNPC1RAB9A
SCHEMBL1663834 0.79 KDM4E (0.53) MAPTMEN1KMT2AUSP2ALDH1A1
SCHEMBL6132956 0.79 USP2 (0.69) GFERCASP6MAPTMEN1KMT2A
SCHEMBL13088273 0.79 KMT2A (0.56) MEN1KMT2AALDH1A1MAPK1CYP2C19
SCHEMBL14117662 0.78 LGMN (0.54) MAPTMEN1KMT2AUSP2ALDH1A1
SCHEMBL5539112 0.78 LGMN (0.54) MAPTMEN1KMT2AALDH1A1LGMN
SCHEMBL25554103 0.78 CASP6 (0.43) GFERCASP6MAPTMEN1KMT2A
SCHEMBL15238296 0.78 ALDH1A1 (0.57) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL6132298 0.76 MEN1 (0.54) MAPTMEN1KMT2AALDH1A1MAPK1

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-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed