SCHEMBL22769210

SCHEMBL22769210

O=C1c2cc(OCCCN3CCN(c4cccc5sccc45)CC3)ccc2CCN1CCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.74
HTR1A P08908 3/20 0.65
HTR2A P28223 3/20 0.65

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
SCHEMBL22769208 0.91 DRD2 (0.79) DRD2
SCHEMBL22769209 0.90 DRD2 (0.78) DRD2
Hydrochloric Acid SCHEMBL1038785 0.87 DRD2 (0.81) DRD2
SCHEMBL1037298 0.85 DRD2 (1.00) DRD2
Hydrochloric Acid SCHEMBL1040421 0.85 DRD2 (0.98) DRD2
SCHEMBL1038342 0.83 DRD2 (0.95) DRD2
Alcohol SCHEMBL20915101 0.83 DRD2 (0.93) DRD2
Hydrochloric Acid SCHEMBL1039541 0.82 DRD2 (0.93) DRD2
Sulfuric Acid SCHEMBL1038977 0.82 DRD2 (0.92) DRD2
SCHEMBL1039415 0.82 DRD2 (0.72) 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-3981772-A1 TETRA-FUNCTIONAL CHEMICAL PROBE AND METHOD FOR IDENTIFYING TARGET MEMBRANE PROTEIN FROM LIVING CELL OR LIVING TISSUE BY USING SAID PROBE Otsuka Pharmaceutical Co., Ltd. (JP) 2022-04-13 EP disclosed
WO-2020246602-A1 TETRA-FUNCTIONAL CHEMICAL PROBE AND METHOD FOR IDENTIFYING TARGET MEMBRANE PROTEIN FROM LIVING CELL OR LIVING TISSUE BY USING SAID PROBE 大塚製薬株式会社 2020-12-10 WO disclosed