SCHEMBL17708362

SCHEMBL17708362

Cc1ccc(OC2CCNCC2O)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.43
HTR2B P41595 9/20 0.43
MAP2K1 Q02750 1/20 0.37
RORC P51449 1/20 0.36
SLC6A4 P31645 6/20 0.36
NPSR1 Q6W5P4 1/20 0.35
SLC6A2 P23975 5/20 0.35
SLC6A3 Q01959 5/20 0.35
HTR2A P28223 1/20 0.34
HTR1A P08908 1/20 0.34
CYP2D6 P10635 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
SCHEMBL3079478 0.84 SLC6A2 (0.49) HTR2CHTR2BMAP2K1SLC6A4SLC6A2
SCHEMBL15337538 0.84 HTR2C (0.43) HTR2CHTR2BMAP2K1SLC6A4SLC6A2
SCHEMBL18066866 0.83 CSNK2A1 (0.39) HTR2CHTR2BMAP2K1RORCSLC6A4
SCHEMBL17708042 0.83 CYP2C19 (0.41) HTR2CHTR2BMAP2K1RORCSLC6A4
SCHEMBL5369456 0.77 HTR2C (0.51) HTR2CHTR2BRORCSLC6A4
SCHEMBL15372308 0.75 HTR2C (0.53) HTR2CHTR2BMAP2K1SLC6A4HTR2A
SCHEMBL19527715 0.74 SLC6A2 (0.47) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
SCHEMBL11245188 0.73 SLC6A2 (0.54) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
SCHEMBL11245201 0.73 SLC6A2 (0.54) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
SCHEMBL11245194 0.73 SLC6A2 (0.54) HTR2CHTR2BSLC6A4SLC6A2SLC6A3

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
US-9682976-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2017-06-20 US disclosed
US-9321763-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2016-04-26 US disclosed