SCHEMBL9834124

SCHEMBL9834124

O=C(O)CCCN1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.66
HTR1A P08908 7/20 0.66
DRD4 P21917 6/20 0.66
HTR2A P28223 5/20 0.66
DRD3 P35462 5/20 0.66
HRH1 P35367 3/20 0.66
HTR2C P28335 2/20 0.66
CACNA1G O43497 1/20 0.62
LMNA P02545 1/20 0.60
GAA P10253 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
TMEM97 Q5BJF2 3/20 0.60
SIGMAR1 Q99720 3/20 0.60
SLC6A4 P31645 2/20 0.60
DRD1 P21728 2/20 0.60
CHRM1 P11229 1/20 0.60
HTR2B P41595 1/20 0.60
HTR6 P50406 1/20 0.60
SLC6A3 Q01959 1/20 0.60
ALDH1A1 P00352 1/20 0.56

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
SCHEMBL2114078 0.91 HTR1A (0.72) DRD2HTR1ADRD4HTR2ADRD3
SCHEMBL3197900 0.88 HTR1A (0.66) DRD2HTR1ADRD4HTR2ADRD3
SCHEMBL8045431 0.86 KCNH2 (0.69) DRD2HTR1AHTR2ADRD3HRH1
SCHEMBL11832182 0.85 DRD2 (0.88) DRD2HTR1ADRD4HTR2ADRD3
SCHEMBL7126140 0.85 GFER (0.53) DRD2HTR1ADRD4HTR2ADRD3
SCHEMBL19107617 0.85 MAPT (0.58) DRD2HTR1ADRD4HTR2ADRD3
SCHEMBL12041413 0.84 DRD2 (0.61) DRD2HTR1ADRD4HTR2ADRD3
Maleic Acid SCHEMBL30604712 0.84 HTR1A (0.58) DRD2HTR1ADRD4HTR2ADRD3
Ammonia Solution, Strong SCHEMBL7120916 0.84 GFER (0.51) DRD2HTR1ADRD4HTR2ADRD3
SCHEMBL8011318 0.84 DRD2 (0.69) DRD2HTR1ADRD4HTR2ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0191867-B1 TRYCICLIC OR TETRACYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND MEDICINAL COMPOSITION CONTAINING THEM Dainippon Pharmaceutical Co., Ltd. (JP) 1991-10-16 EP disclosed
US-4749703-A Calcium antagonist piperazine derivatives, and compositions therefor DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1988-06-07 US disclosed
EP-0191867-A1 TRYCICLIC OR TETRACYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND MEDICINAL COMPOSITION CONTAINING THEM Dainippon Pharmaceutical Co., Ltd. (JP) 1986-08-27 EP disclosed