SCHEMBL7957322

SCHEMBL7957322

COC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@H]1Cc2ccccc2N1C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
ELANE P08246 1/20 0.43
PTPN1 P18031 1/20 0.42
NOTUM Q6P988 1/20 0.41

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
SCHEMBL2827020 0.95 DRD2 (0.51) DRD2DRD4ELANEPTPN1NOTUM
SCHEMBL29442998 0.95 DRD2 (0.51) DRD2DRD4ELANEPTPN1NOTUM
SCHEMBL2827018 0.95 DRD2 (0.51) DRD2DRD4ELANEPTPN1NOTUM
SCHEMBL7950933 0.88 ACE (0.51)
SCHEMBL7950930 0.88 ACE (0.51)
SCHEMBL20220810 0.85 NOTUM (0.44) NOTUM
SCHEMBL21490396 0.84 KMT2A (0.46) DRD2DRD4PTPN1
SCHEMBL29443080 0.84 KMT2A (0.46) DRD2DRD4PTPN1
SCHEMBL927332 0.82 ACE (0.55)
SCHEMBL31092820 0.82 ACE (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6258815-B1 HETEROCYCLIC COMPOUNDS ASTA MEDICA AKTIENGESELLSCHAFT (DE) 2001-07-10 US disclosed