SCHEMBL8821789

SCHEMBL8821789

O=C(OCc1ccccc1)N1CCC[C@@]1(OCc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL7478810 0.91
SCHEMBL3578384 0.88
SCHEMBL7798750 0.88
SCHEMBL20335022 0.81 MEN1 (0.48) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL536304 0.81 MEN1 (0.48) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL4814906 0.81 MEN1 (0.48) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL30353923 0.81 NPC1 (0.45) NPC1RAB9ASMN1; SMN2
SCHEMBL6515271 0.81 MEN1 (0.50) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL30832481 0.81 MEN1 (0.50) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL28818207 0.81 OPRM1 (0.41)

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
WO-1997009043-A9 TWO-PHOTON UPCONVERTING DYES AND APPLICATIONS 1997-09-18 WO disclosed