SCHEMBL7953790

SCHEMBL7953790

Cc1ccc(OC(O)CCN2CCC(c3cncc4ccccc34)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.42
SLC6A4 P31645 3/20 0.42
ROCK2 O75116 2/20 0.36
HTR1A P08908 4/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DRD4 P21917 1/20 0.35
HTR7 P34969 3/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
NPY1R P25929 1/20 0.34

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
SCHEMBL7953789 0.80 USP2 (0.56) DRD2HTR1AKDM4ELMNAMAPT
SCHEMBL7953787 0.78 KDM4E (0.37) DRD2SLC6A4KDM4EALDH1A1LMNA
SCHEMBL7964964 0.78 HTR1A (0.47) DRD2SLC6A4HTR1AHTR7
SCHEMBL8145712 0.73 DRD2 (0.48) DRD2SLC6A4ROCK2HTR1AHTR7
SCHEMBL7963100 0.70 SLC6A1 (0.34) DRD2SLC6A4HTR1AKDM4ELMNA
SCHEMBL7962999 0.68 OPRL1 (0.40) DRD2HTR1A
SCHEMBL7966953 0.67 OPRL1 (0.39) HTR1AALDH1A1LMNAMEN1KMT2A
SCHEMBL13728399 0.67 CYP11B2 (0.42) DRD2SLC6A4HTR1AKDM4ELMNA
SCHEMBL7963306 0.66 MAPK1 (0.40) DRD2SLC6A4KDM4EALDH1A1MAPK1
SCHEMBL7967096 0.66 TUBB4A (0.38) HTR7ADRA1AADRA1B

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
WO-2000006166-A1 5-HT1F ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed