SCHEMBL9517403

SCHEMBL9517403

Clc1ccc([C@H]2C[CH]CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.48
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
DRD2 P14416 1/20 0.43
LSS P48449 2/20 0.41
SRD5A1 P18405 2/20 0.41
SLC18A3 Q16572 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC2A1 P11166 1/20 0.37
LMNA P02545 1/20 0.36
CYP2A6 P11509 1/20 0.36
ADRA1A P35348 1/20 0.36
MAP1LC3B Q9GZQ8 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
SCHEMBL9517400 1.00 HTR3A (0.48) HTR3ASLC6A2SLC6A3DRD2LSS
SCHEMBL694010 0.88 HTR3A (0.50) HTR3ASLC6A2SLC6A3DRD2LSS
SCHEMBL900117 0.85 HTR3A (0.50) HTR3ASLC6A2SLC6A3DRD2LSS
SCHEMBL29558540 0.83 SLC6A2 (0.55) HTR3ASLC6A2SLC6A3DRD2LSS
SCHEMBL315186 0.78 HTR3A (0.58) HTR3ASLC6A2SLC6A3DRD2LSS
SCHEMBL9181742 0.77 HTR3A (0.44) HTR3ASLC6A2SLC6A3DRD2LSS
SCHEMBL9181738 0.77 HTR3A (0.44) HTR3ASLC6A2SLC6A3DRD2LSS
SCHEMBL385172 0.76 SLC18A3 (0.48) DRD2SRD5A1SLC18A3
SCHEMBL655216 0.75 HTR3A (0.43) HTR3ASLC6A2SLC6A3DRD2LSS
SCHEMBL11315431 0.74 SRD5A1 (0.46) HTR3ASLC6A2SLC6A3DRD2LSS

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
EP-0559743-A1 NOVEL HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES AND THEIR USE. PFIZER HOSPITAL PROD (US) 1993-09-15 EP disclosed
WO-1992009566-A1 NOVEL HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES AND THEIR USE PFIZER INC. (US) 1992-06-11 WO disclosed