SCHEMBL11587652

SCHEMBL11587652

ClCCCCOC1CCC(c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 6/20 0.38
SIGMAR1 Q99720 2/20 0.38
SLC18A3 Q16572 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
IDO1 P14902 1/20 0.35
GRIN2B Q13224 1/20 0.35
DRD2 P14416 1/20 0.35

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
SCHEMBL8558032 0.84 DRD2 (0.45) HCRTR2DRD2
SCHEMBL28469664 0.83 HCRTR2 (0.38) HCRTR2SIGMAR1SLC18A3MEN1KMT2A
SCHEMBL11619194 0.82 DRD2 (0.46) HCRTR2DRD2
SCHEMBL7080755 0.82 HCRTR2 (0.39) HCRTR2SIGMAR1SLC18A3MEN1KMT2A
SCHEMBL10621649 0.81 HCRTR2 (0.37) HCRTR2SIGMAR1SLC18A3MEN1KMT2A
SCHEMBL10619598 0.81 HCRTR2 (0.37) HCRTR2SIGMAR1SLC18A3MEN1KMT2A
SCHEMBL10621654 0.81 HCRTR2 (0.37) HCRTR2SIGMAR1SLC18A3MEN1KMT2A
SCHEMBL10619590 0.81 HCRTR2 (0.37) HCRTR2SIGMAR1SLC18A3MEN1KMT2A
SCHEMBL22321153 0.81 SLC18A3 (0.44) HCRTR2SIGMAR1SLC18A3MEN1KMT2A
SCHEMBL22321155 0.81 SLC18A3 (0.44) HCRTR2SIGMAR1SLC18A3MEN1KMT2A

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
US-4077962-A WATER INSOLUBLE, GREEN-YELLOW, SYNTHETIC FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1978-03-07 US disclosed