SCHEMBL7468482

SCHEMBL7468482

COC(=O)CCC1CCC(N2CCN(c3ccc4c(c3)CCN(CCCO)CC4)C2=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.35
DRD3 P35462 13/20 0.35
MCHR1 Q99705 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
ACHE P22303 1/20 0.34
HTR4 Q13639 1/20 0.34
HRH1 P35367 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL7468477 1.00 DRD2 (0.35) DRD2DRD3MCHR1F2F10
SCHEMBL7474107 0.91 PARP1 (0.38) DRD2DRD3F2F10HRH3
SCHEMBL7474111 0.91 PARP1 (0.38) DRD2DRD3F2F10HRH3
SCHEMBL8562707 0.90 F2 (0.35) DRD2DRD3F2F10HTR4
SCHEMBL8562703 0.90 F2 (0.35) DRD2DRD3F2F10HTR4
SCHEMBL8564964 0.90 F2 (0.35) DRD2DRD3F2F10ACHE
SCHEMBL8564972 0.90 F2 (0.35) DRD2DRD3F2F10ACHE
Hydrochloric Acid SCHEMBL8561453 0.89 F2 (0.35) DRD2DRD3F2F10HRH3
SCHEMBL7475227 0.89 DRD2 (0.36) DRD2DRD3F2F10
SCHEMBL7475221 0.89 DRD2 (0.36) DRD2DRD3F2F10

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-0777667-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT Dr. Karl Thomae GmbH (DE) 1997-06-11 EP disclosed
WO-1996005194-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT DR. KARL THOMAE GMBH (DE) 1996-02-22 WO disclosed