SCHEMBL7963018

SCHEMBL7963018

COc1cccc(OC[C@@H](O)CN2CCC(O)(c3cnc4ccccc4c3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.56
MAPT P10636 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
KDM4E B2RXH2 3/20 0.54
PRMT5 O14744 2/20 0.52
WDR77 Q9BQA1 2/20 0.52
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 2/20 0.49
RAD52 P43351 2/20 0.49
POLB P06746 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
KDR P35968 1/20 0.48
NPSR1 Q6W5P4 1/20 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
SCHEMBL7953344 0.92 KDM4E (0.53) MAPTL3MBTL1KDM4EPRMT5WDR77
SCHEMBL7969553 0.90 L3MBTL1 (0.55) L3MBTL1KDM4EPRMT5WDR77SMN1; SMN2
SCHEMBL7200720 0.88 SMN1; SMN2 (0.57) MAPTKDM4EPRMT5WDR77MAPK1
SCHEMBL27193282 0.88 SMN1; SMN2 (0.57) MAPTKDM4EPRMT5WDR77MAPK1
SCHEMBL7962210 0.87 TP53 (0.56) TP53MAPTL3MBTL1KDM4EPRMT5
SCHEMBL7969477 0.87 MAPT (0.50) MAPTL3MBTL1KDM4EPRMT5WDR77
SCHEMBL7953962 0.87 ABCB1 (0.54) TP53MAPTL3MBTL1KDM4EMAPK1
SCHEMBL7966950 0.87 TSHR (0.56) MAPTL3MBTL1KDM4EPRMT5WDR77
SCHEMBL7969310 0.87 L3MBTL1 (0.51) L3MBTL1KDM4EPRMT5WDR77SMN1; SMN2
SCHEMBL7962982 0.86 SMN1; SMN2 (0.49) MAPTL3MBTL1KDM4EPRMT5WDR77

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-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 US disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed
EP-0976747-A2 Use of 5HT-1F receptor antagonists for treating anxiety disorders ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed