SCHEMBL6462673

SCHEMBL6462673

O=C(CCC1CCCCC1)N[C@@H](CCc1ccccc1)C(O)c1ncco1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HPGD P15428 3/20 0.42
FAAH O00519 3/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
EPHX2 P34913 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KCNQ3 O43525 1/20 0.38

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
SCHEMBL6473243 0.83 BMP1 (0.41) MEN1KMT2AHPGDRAB9ANPC1
SCHEMBL7047954 0.83 F11 (0.47) MEN1KMT2AHPGDFAAHRAB9A
SCHEMBL6473321 0.81 MEN1 (0.40) MEN1KMT2AHPGDFAAHRAB9A
SCHEMBL6463649 0.81 MEN1 (0.40) MEN1KMT2AHPGDFAAHRAB9A
SCHEMBL7045896 0.81 CTSS (0.49) CTSLCTSBCTSS
SCHEMBL7042158 0.81 DAGLA (0.42) MEN1KMT2AHPGDRAB9AALDH1A1
SCHEMBL6466336 0.80 MEN1 (0.40) MEN1KMT2AFAAHRAB9ANPC1
SCHEMBL6472183 0.80 FAAH (0.48) MEN1KMT2AHPGDFAAHRAB9A
SCHEMBL6465251 0.77 LMNA (0.40) MEN1KMT2ARAB9ATP53CTSL
SCHEMBL6465745 0.77 KMT2A (0.43) MEN1KMT2ARAB9ASMN1; SMN2TP53

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
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed