SCHEMBL17848775

SCHEMBL17848775

CC1(Oc2ccccc2Cl)CCN(CCOc2ccc(Cl)cc2)CC1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.80
LTA4H P09960 2/20 0.50
TSHR P16473 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
PTGS2 P35354 1/20 0.50
KCNA5 P22460 1/20 0.48

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
SCHEMBL17848502 0.93 DRD2 (0.76) DRD2TSHRSIGMAR1
SCHEMBL17848770 0.92 DRD2 (0.67) DRD2LTA4HTSHR
SCHEMBL17848571 0.89 DRD2 (1.00) DRD2LTA4HSIGMAR1PTGS2
SCHEMBL17848631 0.89 DRD2 (0.90) DRD2LTA4HSIGMAR1PTGS2
SCHEMBL17848443 0.86 DRD2 (0.77) DRD2TSHR
SCHEMBL17848766 0.86 DRD2 (0.65) DRD2
SCHEMBL17848429 0.86 DRD2 (0.77) DRD2TSHRKCNA5
SCHEMBL17848317 0.85 DRD2 (0.72) DRD2TSHR
SCHEMBL17848380 0.85 DRD2 (0.80) DRD2LTA4HSIGMAR1PTGS2
SCHEMBL17848333 0.85 DRD2 (0.74) DRD2

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 disclosed
WO-2016100940-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2016-06-23 WO disclosed