SCHEMBL30174702

SCHEMBL30174702

OC1(Cc2cccc(Cl)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.48
HTR3E A5X5Y0 3/20 0.46
HTR3B O95264 3/20 0.46
HTR3A P46098 3/20 0.46
HTR3D Q70Z44 3/20 0.46
HTR3C Q8WXA8 3/20 0.46
TAAR1 Q96RJ0 3/20 0.46
HSD11B1 P28845 1/20 0.46
SIGMAR1 Q99720 1/20 0.44
IDO1 P14902 3/20 0.44
CYP3A4 P08684 2/20 0.44
AGXT P21549 2/20 0.44
OPRL1 P41146 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
EPHX2 P34913 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
SCHEMBL25209309 1.00 PNMT (0.48) PNMTHTR3EHTR3BHTR3AHTR3D
SCHEMBL25518220 0.93 PNMT (0.46) PNMTHTR3EHTR3BHTR3AHTR3D
SCHEMBL31374947 0.93 SLC6A4 (0.46) PNMTHTR3EHTR3BHTR3AHTR3D
SCHEMBL25517176 0.77 OPRL1 (0.46) TAAR1IDO1OPRL1
SCHEMBL2473095 0.77 MAOA (0.59) PNMTHTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL21879608 0.76 MAOB (0.57) PNMTHTR3EHTR3BHTR3AHTR3D
SCHEMBL28960982 0.75 GRIN2D (0.51) TAAR1IDO1CYP3A4OPRL1SLC6A2
SCHEMBL30601825 0.75 HSD11B1 (0.51) PNMTHSD11B1SIGMAR1EPHX2
SCHEMBL26123313 0.75 HSD11B1 (0.51) PNMTHSD11B1SIGMAR1EPHX2
SCHEMBL23343753 0.74 OPRL1 (0.65) OPRL1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4132944-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION Cocrystal Pharma, Inc. (US) 2023-02-15 EP disclosed