SCHEMBL7199653

SCHEMBL7199653

CC1C(SC2=Cc3ccccc3C2C)=Cc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.40
DRD4 P21917 5/20 0.40
BRD4 O60885 1/20 0.39
CCL2 P13500 1/20 0.39
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
HTR2A P28223 1/20 0.30

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
Hydrochloric Acid SCHEMBL7196330 0.96 DRD2 (0.38) DRD2DRD4BRD4CCL2CYP19A1
SCHEMBL29458545 0.74 DRD2 (0.41) DRD2DRD4BRD4CCL2CYP19A1
SCHEMBL251288 0.74 DRD2 (0.41) DRD2DRD4BRD4CCL2CYP19A1
SCHEMBL30186426 0.73 DRD2 (0.40) DRD2DRD4BRD4CCL2CYP19A1
SCHEMBL9148106 0.73 DRD2 (0.40) DRD2DRD4BRD4CCL2CYP19A1
SCHEMBL9148116 0.73 DRD2 (0.40) DRD2DRD4BRD4CCL2CYP19A1
SCHEMBL29959900 0.73 DRD2 (0.40) DRD2DRD4BRD4CCL2CYP19A1
Lithium SCHEMBL9145416 0.73 DRD2 (0.40) DRD2DRD4BRD4CCL2CYP19A1
SCHEMBL5574454 0.73 DRD2 (0.40) DRD2DRD4BRD4CCL2CYP19A1
SCHEMBL813597 0.73 DRD2 (0.40) DRD2DRD4BRD4CCL2CYP19A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0668865-B1 INDENYL COMPOUNDS AND CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS DSM NV (NL) 2003-07-23 EP disclosed
US-5990253-A METALLOCENES HAVING THE INDENE RING BINDING AT THE 2-POSITION RATHER THAN AT THE 1-POSITION; COORDINATION CATALYSTS; LESS CRYSTALLIZATION IN THE ADDITION POLYMERIZATION OF ELASTOMERS DSM N.V. (NL) 1999-11-23 US disclosed
US-5646322-A Indenyl compounds and catalyst components for the polymerization of olefins DSM N.V. (NL) 1997-07-08 US disclosed
EP-0668865-A1 INDENYL COMPOUNDS AND CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS DSM N.V. (NL) 1995-08-30 EP disclosed
WO-1994011406-A1 INDENYL COMPOUNDS AND CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS DSM N.V. (NL) 1994-05-26 WO disclosed