SCHEMBL7964779

SCHEMBL7964779

OC(CCOc1ccc2c(c1)CCC2)N1CCC(O)(c2cnc3ccccc3c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.43
LMNA P02545 6/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 6/20 0.41
HPGD P15428 2/20 0.41
HTR7 P34969 2/20 0.39
GAA P10253 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
TP53 P04637 2/20 0.37

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
SCHEMBL7969068 0.98 LMNA (0.41) SMN1; SMN2LMNAALDH1A1MAPK1MAPT
SCHEMBL7200716 0.90 KDM4E (0.38) SMN1; SMN2LMNAALDH1A1MAPK1HPGD
SCHEMBL7969551 0.88 MEN1 (0.41) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL7962978 0.87 PPARG (0.39) SMN1; SMN2LMNAALDH1A1MAPTKDM4E
SCHEMBL7953343 0.87 ALDH1A1 (0.46) SMN1; SMN2LMNAALDH1A1MAPTMEN1
SCHEMBL7969474 0.86 MAPT (0.38) SMN1; SMN2LMNAALDH1A1MAPTMEN1
SCHEMBL7953451 0.86 LTA4H (0.38) LMNAALDH1A1MEN1KMT2APRMT5
SCHEMBL7965171 0.86 DRD2 (0.41) LMNAALDH1A1HTR7MEN1KMT2A
SCHEMBL7966948 0.86 OPRM1 (0.39) SMN1; SMN2LMNAALDH1A1KDM4EMEN1
SCHEMBL7969307 0.86 LTA4H (0.44) SMN1; SMN2LMNAALDH1A1MEN1KMT2A

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