SCHEMBL17848672

SCHEMBL17848672

CC(CCN1CCC(C)(Oc2ccc(Cl)cc2)CC1)c1ccccc1C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.67
CCR1 P32246 1/20 0.39
HTR1A P08908 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
HSD11B1 P28845 1/20 0.38
HSD11B2 P80365 1/20 0.38

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
SCHEMBL17848517 0.80 DRD2 (1.00) DRD2
SCHEMBL17848732 0.79 DRD2 (0.67) DRD2CCR1OPRM1OPRL1HSD11B1
SCHEMBL17848679 0.79 DRD2 (0.67) DRD2CCR1HSD11B1HSD11B2
SCHEMBL17848767 0.79 DRD2 (0.67) DRD2CCR1HTR1AOPRM1HSD11B1
SCHEMBL21908465 0.79 DRD2 (0.60) DRD2CCR1HTR1AOPRM1HSD11B1
SCHEMBL17848686 0.78 DRD2 (0.64) DRD2CCR1
SCHEMBL17848738 0.77 DRD2 (0.71) DRD2
SCHEMBL17848656 0.76 DRD2 (0.63) DRD2CCR1HSD11B1HSD11B2
SCHEMBL17848749 0.76 DRD2 (0.73) DRD2
SCHEMBL17848710 0.75 DRD2 (0.60) DRD2CCR1HTR1AOPRM1

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-3233077-A1 DOPAMINE D2 RECEPTOR LIGANDS The Broad Institute Inc. (US) 2017-10-25 EP claimed
WO-2016100940-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2016-06-23 WO claimed