SCHEMBL16615614

SCHEMBL16615614

CN1CCC(c2ccccc2OI)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.51
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
SSTR1 P30872 2/20 0.45
SSTR4 P31391 2/20 0.45
HTR2C P28335 2/20 0.44
HTR6 P50406 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
SCHEMBL824153 0.84 DRD2 (0.69) DRD2MEN1KMT2AHTR2C
SCHEMBL13416040 0.75 DRD2 (0.61) DRD2MEN1KMT2AHTR2C
SCHEMBL13085385 0.74 HTR2C (0.58) HTR2CHTR6
SCHEMBL824172 0.74 QDPR (0.53) HTR6
SCHEMBL21590355 0.73 DRD2 (0.64) DRD2MEN1KMT2ASSTR1SSTR4
SCHEMBL21590258 0.73 ADRA2C (0.47) HTR6
SCHEMBL1837165 0.73 GRM2 (0.51) DRD2MEN1KMT2AHTR6
SCHEMBL10078312 0.73 HTR1A (0.47) MEN1KMT2AHTR2CHTR6
SCHEMBL23228758 0.72 SSTR4 (0.54) DRD2MEN1KMT2ASSTR1SSTR4
Hydrochloric Acid SCHEMBL1835586 0.71 GRM2 (0.50) DRD2MEN1KMT2AHTR6

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
WO-2015042685-A1 INHIBITORS OF POLYNUCLEOTIDE REPEAT-ASSOCIATED RNA FOCI AND USES THEREOF VALORISATION-RECHERCHE (CA) 2015-04-02 WO disclosed