SCHEMBL8377336

SCHEMBL8377336

Brc1ccc2c(c1)C(OC1CCCCO1)CC2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
HSD11B1 P28845 1/20 0.36
PDE1B Q01064 1/20 0.33
IDO1 P14902 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
MAPK1 P28482 1/20 0.30

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
SCHEMBL3517535 0.93 HTR2A (0.37) SLC6A4HTR2AHTR2CHTR2BHSD11B1
SCHEMBL8481056 0.89 HSD11B1 (0.39) SLC6A4HSD11B1
SCHEMBL8382519 0.81 HSD11B1 (0.33) HSD11B1HPGD
SCHEMBL6994885 0.80 IDO1 (0.50) IDO1
SCHEMBL18153009 0.76 KDM4C (0.34)
SCHEMBL3519977 0.74 ALDH1A1 (0.34) HSD11B1HPGD
SCHEMBL12004605 0.74 GID4 (0.35) HSD11B1
SCHEMBL13518963 0.74 GID4 (0.35) HSD11B1
SCHEMBL15779251 0.74 ESR2 (0.38)
SCHEMBL31511367 0.73 HSD11B1 (0.37) HSD11B1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0684254-B1 Propiophenone derivative and a process for preparing the same TANABE SEIYAKU CO (JP) 1999-03-24 EP disclosed
CN-1042637-C Propiophenone derivative and a process for preparing the same TANABE SEIYAKU CO (JP) 1999-03-24 CN disclosed
US-5830873-A ANTIDIABETIC AGENT TANABE SEIYAKU CO., LTD. (JP) 1998-11-03 US disclosed
CN-1121925-A Propiophenone derivative and a process for preparing the same TANABE SEIYAKU CO (JP) 1996-05-08 CN disclosed
EP-0684254-A1 Propiophenone derivative and a process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1995-11-29 EP disclosed