SCHEMBL7967348

SCHEMBL7967348

O=C(/C=C\C(=O)O[C@H](CCN1CCC(c2cnc3ccccc3c2)CC1)Oc1ccccc1)O[C@H](CCN1CCC(c2cnc3ccccc3c2)CC1)Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
HRH1 P35367 2/20 0.38
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
DRD2 P14416 2/20 0.37
SLC6A4 P31645 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ABCB1 P08183 1/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
RAB9A P51151 1/20 0.36
SLC18A3 Q16572 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PRMT5 O14744 1/20 0.36

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
Maleic Acid SCHEMBL7967347 0.75 DRD4 (0.53) DRD2KDM4EPRMT5
Maleic Acid SCHEMBL7967346 0.73 RAB9A (0.42) CHRNB2CHRNA7CHRNA4HRH1HRH3
Fumaric Acid SCHEMBL7967350 0.73 RAB9A (0.42) CHRNB2CHRNA7CHRNA4HRH1HRH3
Bromide SCHEMBL7953920 0.70 MAOB (0.43) MAOBMAOADRD2SLC6A4HRH3
SCHEMBL7966021 0.68 HTR1A (0.47) SLC6A4HTR1A
SCHEMBL9456721 0.68 HTR3A (0.56) DRD2SLC6A4KDM4EPRMT5
SCHEMBL8142150 0.68 KDM4E (0.47) CHRNB2CHRNA7CHRNA4SLC6A4RAB9A
SCHEMBL7963780 0.67 AKT1 (0.37) HRH1DRD2RAB9AKMT2A
SCHEMBL9456766 0.67 PLD1 (0.58) DRD2HTR1A
Bromide SCHEMBL9323877 0.67 HTR3A (0.55) DRD2SLC6A4KDM4EPRMT5

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 2 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