SCHEMBL10694700

SCHEMBL10694700

CN1C(=O)C(c2cccc(OCCCCBr)c2)Cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.39
DRD4 P21917 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
HTR1A P08908 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
SLC6A4 P31645 1/20 0.37
GRIN1 Q05586 3/20 0.37

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
SCHEMBL10691585 0.82 LMNA (0.49) TSHRKMT2A
SCHEMBL10694704 0.79 DRD2 (0.40) DRD2DRD4ADRA1DADRA1AADRA1B
SCHEMBL30489285 0.75 TSHR (0.65) DRD2DRD4ADRA1DADRA1AADRA1B
SCHEMBL10695532 0.75 TSHR (0.65) DRD2DRD4ADRA1DADRA1AADRA1B
SCHEMBL10694512 0.70 CACNA1S (0.51) TSHRKMT2A
SCHEMBL10692186 0.69 BACE1 (0.35) DRD2HTR1AGRIN1
SCHEMBL6281661 0.69 CACNA1S (0.53) DRD2DRD4
SCHEMBL6280175 0.69 HTR7 (0.37) DRD2DRD4TSHRHTR1A
SCHEMBL10693674 0.66 BACE1 (0.35) DRD2TSHRGRIN1
SCHEMBL27950450 0.65 PRSS1 (0.53) TSHRKMT2A

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
US-4778793-A CONTROLLING CALCIUM CONCENTRATION-CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1988-10-18 US disclosed
EP-0212216-A1 Dihydroquinolinone derivatives, processes for their preparation, medicaments containing them, the use of these medicaments, and intermediates for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-04 EP disclosed