SCHEMBL7964658

SCHEMBL7964658

Cc1ccc(OCCCN2CCC(O)(c3cnc4ccccc4c3)CC2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
HRH3 Q9Y5N1 8/20 0.45
DRD3 P35462 4/20 0.45
LTA4H P09960 2/20 0.44
DRD2 P14416 3/20 0.44
HTR1A P08908 2/20 0.44
HTR2A P28223 2/20 0.44
HTR7 P34969 2/20 0.44
HRH1 P35367 2/20 0.44
DRD1 P21728 1/20 0.44
DRD5 P21918 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
HTR2B P41595 1/20 0.44
EGFR P00533 1/20 0.41
INSR P06213 1/20 0.41
IGF1R P08069 1/20 0.41

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
SCHEMBL7962754 0.88 ALDH1A1 (0.56) MEN1ALDH1A1LMNAKMT2AHRH3
SCHEMBL7969481 0.85 LTA4H (0.38) MEN1ALDH1A1LMNAKMT2ADRD3
SCHEMBL7969477 0.85 MAPT (0.50) LMNAKMT2A
Oxalic Acid SCHEMBL7966526 0.84 KDM4E (0.54) MEN1ALDH1A1LMNAKMT2AHRH3
SCHEMBL7969474 0.84 MAPT (0.38) MEN1ALDH1A1LMNAKMT2ADRD3
SCHEMBL7964899 0.83 ALDH1A1 (0.50) MEN1ALDH1A1LMNAKMT2AHRH3
SCHEMBL7966189 0.83 LTA4H (0.50) MEN1ALDH1A1LMNAKMT2AHRH3
SCHEMBL7966346 0.80 CYP2D6 (0.49) MEN1ALDH1A1LMNAKMT2AHTR2A
SCHEMBL7965519 0.80 ALDH1A1 (0.51) MEN1ALDH1A1LMNAKMT2ADRD3
SCHEMBL7963819 0.78 MAOA (0.46) LMNADRD3DRD2HTR1AHTR2A

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