SCHEMBL15319396

SCHEMBL15319396

CC1SCCc2c(Br)cccc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.41
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TRPA1 O75762 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 1/20 0.31
KDM1A O60341 1/20 0.31

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
SCHEMBL15320110 0.80 ADRA2A (0.39) ALDH1A1PARP10PARP11
SCHEMBL15319341 0.75 GID4 (0.38) GID4KDM4EALDH1A1PARP10PARP11
SCHEMBL15320204 0.72 PDE5A (0.37) GID4
SCHEMBL17969853 0.72 GID4 (0.45) GID4DRD2DRD1DRD4DRD5
SCHEMBL15897223 0.69 HTR2A (0.43) DRD2
SCHEMBL17192147 0.69 GID4 (0.42) GID4DRD2DRD1DRD4DRD5
SCHEMBL17192148 0.69 GID4 (0.42) GID4DRD2DRD1DRD4DRD5
SCHEMBL12270073 0.69 GID4 (0.42) GID4DRD2DRD1DRD4DRD5
SCHEMBL3715028 0.68 GID4 (0.41) GID4DRD2DRD1DRD4DRD5
SCHEMBL17681818 0.68 GID4 (0.61) GID4DRD2DRD4KDM4EPARP10

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-2834233-A1 NEW ALPHA2 ADRENOCEPTOR AGONISTS Orion Corporation (FI) 2015-02-11 EP disclosed
WO-2013150173-A1 NEW ALPHA2 ADRENOCEPTOR AGONISTS ORION CORPORATION (FI) 2013-10-10 WO disclosed