SCHEMBL9362201

SCHEMBL9362201

Nc1ccc(N2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2)cc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.61
HTR7 P34969 3/20 0.52
DRD2 P14416 3/20 0.51
DRD3 P35462 1/20 0.51
HTR2A P28223 2/20 0.51
HTR6 P50406 2/20 0.51

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
Hydrochloric Acid SCHEMBL9365612 0.99 HTR1A (0.60) HTR1AHTR7DRD2DRD3HTR2A
Hydrochloric Acid SCHEMBL9545427 0.98 HTR1A (0.61) HTR1AHTR7DRD2DRD3HTR2A
Hydrochloric Acid SCHEMBL9361660 0.97 HTR1A (0.60) HTR1AHTR7DRD2HTR2AHTR6
Acetic Acid SCHEMBL9361625 0.94 HTR1A (0.57) HTR1AHTR7DRD2DRD3HTR2A
Acetic Acid SCHEMBL9362577 0.93 HTR1A (0.58) HTR1AHTR7DRD2DRD3HTR2A
Acetic Acid SCHEMBL9362124 0.93 HTR1A (0.58) HTR1AHTR7DRD2DRD3HTR2A
SCHEMBL9545540 0.89 MAPK1 (0.66) HTR1AHTR7DRD2DRD3HTR2A
Hydrochloric Acid SCHEMBL9545456 0.88 HTR1A (0.49) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL7055346 0.87 HTR1A (0.61) HTR1AHTR7DRD2DRD3HTR2A
SCHEMBL9362187 0.83 SIRT6 (0.59) HTR1AHTR7DRD2HTR2AHTR6

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-0594813-A1 NOVEL AMIDOALKYL- AND IMIDOALKYL-PIPERAZINES Astra Aktiebolag (SE) 1994-05-04 EP disclosed
WO-1993021179-A1 NOVEL AMIDOALKYL- AND IMIDOALKYL-PIPERAZINES AKTIEBOLAGET ASTRA (SE) 1993-10-28 WO disclosed